COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.649   1.950   0.314  1.00  0.00           C  
HETATM    2  C   UNL     1      -7.041   1.632  -1.130  1.00  0.00           C  
HETATM    3  C   UNL     1      -7.952   0.403  -1.152  1.00  0.00           C  
HETATM    4  O   UNL     1      -8.318   0.104  -2.501  1.00  0.00           O  
HETATM    5  C   UNL     1      -7.212  -0.792  -0.548  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.820  -0.473   0.896  1.00  0.00           C  
HETATM    7  C   UNL     1      -6.080  -1.669   1.499  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.817  -1.954   0.683  1.00  0.00           C  
HETATM    9  O   UNL     1      -5.179  -2.250  -0.667  1.00  0.00           O  
HETATM   10  C   UNL     1      -3.906  -0.726   0.709  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.638   0.483   0.106  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.907   0.755   0.916  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.757   1.726   0.082  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.428   1.457  -0.642  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.746   0.274   0.012  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.668  -0.969  -0.133  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.746  -2.097   0.344  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.385  -1.732  -0.308  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.420  -0.206  -0.569  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.593   0.529   1.512  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.512   1.075   2.359  1.00  0.00           C  
HETATM   22  C   UNL     1       0.749   0.481   0.141  1.00  0.00           C  
HETATM   23  C   UNL     1       0.658   1.993  -0.072  1.00  0.00           C  
HETATM   24  C   UNL     1       2.069  -0.037  -0.432  1.00  0.00           C  
HETATM   25  C   UNL     1       3.236   0.554   0.361  1.00  0.00           C  
HETATM   26  O   UNL     1       4.531  -0.717  -1.148  1.00  0.00           O  
HETATM   27  C   UNL     1       4.537   0.045  -0.204  1.00  0.00           C  
HETATM   28  N   UNL     1       5.707   0.435   0.339  1.00  0.00           N  
HETATM   29  C   UNL     1       6.971  -0.061  -0.210  1.00  0.00           C  
HETATM   30  C   UNL     1       8.139   0.531   0.583  1.00  0.00           C  
HETATM   31  S   UNL     1       9.704  -0.083  -0.097  1.00  0.00           S  
HETATM   32  O   UNL     1       9.971   0.471  -1.378  1.00  0.00           O  
HETATM   33  O   UNL     1       9.891  -1.464   0.183  1.00  0.00           O  
HETATM   34  O   UNL     1      10.750   0.584   0.784  1.00  0.00           O  
HETATM   35  H   UNL     1      -6.001   2.826   0.329  1.00  0.00           H  
HETATM   36  H   UNL     1      -7.547   2.152   0.898  1.00  0.00           H  
HETATM   37  H   UNL     1      -6.144   1.429  -1.714  1.00  0.00           H  
HETATM   38  H   UNL     1      -7.569   2.483  -1.560  1.00  0.00           H  
HETATM   39  H   UNL     1      -8.851   0.606  -0.569  1.00  0.00           H  
HETATM   40  H   UNL     1      -8.781   0.881  -2.844  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.314  -0.996  -1.132  1.00  0.00           H  
HETATM   42  H   UNL     1      -7.861  -1.668  -0.563  1.00  0.00           H  
HETATM   43  H   UNL     1      -7.717  -0.269   1.480  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.729  -2.544   1.481  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.803  -1.443   2.529  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.291  -2.806   1.114  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.752  -3.029  -0.638  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.615  -0.505   1.736  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.921   0.231  -0.916  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.287   2.529  -0.430  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.549   2.035   1.107  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.619   1.190  -1.682  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.794   2.343  -0.597  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.943  -1.119  -1.177  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.100  -3.063  -0.017  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.666  -2.096   1.431  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.264  -2.270  -1.249  1.00  0.00           H  
HETATM   58  H   UNL     1       0.433  -1.977   0.370  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.381  -0.004  -1.639  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.564   0.782   1.939  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.206  -0.367   1.996  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.901   1.356   1.671  1.00  0.00           H  
HETATM   63  H   UNL     1      -6.408   1.279   2.945  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.983   0.223   2.788  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.862   1.950   2.373  1.00  0.00           H  
HETATM   66  H   UNL     1       0.705   0.261   1.208  1.00  0.00           H  
HETATM   67  H   UNL     1       0.701   2.213  -1.139  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.283   2.362   0.337  1.00  0.00           H  
HETATM   69  H   UNL     1       1.490   2.482   0.434  1.00  0.00           H  
HETATM   70  H   UNL     1       2.095  -1.124  -0.360  1.00  0.00           H  
HETATM   71  H   UNL     1       2.152   0.260  -1.478  1.00  0.00           H  
HETATM   72  H   UNL     1       3.210   1.642   0.289  1.00  0.00           H  
HETATM   73  H   UNL     1       3.153   0.257   1.406  1.00  0.00           H  
HETATM   74  H   UNL     1       5.712   1.044   1.094  1.00  0.00           H  
HETATM   75  H   UNL     1       6.997  -1.148  -0.138  1.00  0.00           H  
HETATM   76  H   UNL     1       7.055   0.236  -1.255  1.00  0.00           H  
HETATM   77  H   UNL     1       8.113   1.618   0.511  1.00  0.00           H  
HETATM   78  H   UNL     1       8.055   0.233   1.628  1.00  0.00           H  
HETATM   79  H   UNL     1      11.614   0.290   0.464  1.00  0.00           H  
CONECT    1    2   12   35   36                                       
CONECT    2    1    3   37   38                                       
CONECT    3    2    4    5   39                                       
CONECT    4    3   40                                                 
CONECT    5    3    6   41   42                                       
CONECT    6    5    7   12   43                                       
CONECT    7    6    8   44   45                                       
CONECT    8    7    9   10   46                                       
CONECT    9    8   47                                                 
CONECT   10    8   11   16   48                                       
CONECT   11   10   12   13   49                                       
CONECT   12    1    6   11   21                                       
CONECT   13   11   14   50   51                                       
CONECT   14   13   15   52   53                                       
CONECT   15   14   16   19   20                                       
CONECT   16   10   15   17   54                                       
CONECT   17   16   18   55   56                                       
CONECT   18   17   19   57   58                                       
CONECT   19   15   18   22   59                                       
CONECT   20   15   60   61   62                                       
CONECT   21   12   63   64   65                                       
CONECT   22   19   23   24   66                                       
CONECT   23   22   67   68   69                                       
CONECT   24   22   25   70   71                                       
CONECT   25   24   27   72   73                                       
CONECT   26   27   27                                                 
CONECT   27   25   26   26   28                                       
CONECT   28   27   29   74                                            
CONECT   29   28   30   75   76                                       
CONECT   30   29   31   77   78                                       
CONECT   31   30   32   32   33                                       
CONECT   31   33   34                                                 
CONECT   32   31   31                                                 
CONECT   33   31   31                                                 
CONECT   34   31   79                                                 
CONECT   35    1                                                      
CONECT   36    1                                                      
CONECT   37    2                                                      
CONECT   38    2                                                      
CONECT   39    3                                                      
CONECT   40    4                                                      
CONECT   41    5                                                      
CONECT   42    5                                                      
CONECT   43    6                                                      
CONECT   44    7                                                      
CONECT   45    7                                                      
CONECT   46    8                                                      
CONECT   47    9                                                      
CONECT   48   10                                                      
CONECT   49   11                                                      
CONECT   50   13                                                      
CONECT   51   13                                                      
CONECT   52   14                                                      
CONECT   53   14                                                      
CONECT   54   16                                                      
CONECT   55   17                                                      
CONECT   56   17                                                      
CONECT   57   18                                                      
CONECT   58   18                                                      
CONECT   59   19                                                      
CONECT   60   20                                                      
CONECT   61   20                                                      
CONECT   62   20                                                      
CONECT   63   21                                                      
CONECT   64   21                                                      
CONECT   65   21                                                      
CONECT   66   22                                                      
CONECT   67   23                                                      
CONECT   68   23                                                      
CONECT   69   23                                                      
CONECT   70   24                                                      
CONECT   71   24                                                      
CONECT   72   25                                                      
CONECT   73   25                                                      
CONECT   74   28                                                      
CONECT   75   29                                                      
CONECT   76   29                                                      
CONECT   77   30                                                      
CONECT   78   30                                                      
CONECT   79   34                                                      
MASTER        0    0    0    0    0    0    0    0   79    0   79    0
END
