COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.515  -1.705   0.018  1.00  0.00           C  
HETATM    2  C   UNL     1       4.051  -1.460  -0.109  1.00  0.00           C  
HETATM    3  C   UNL     1       2.865  -0.601   0.333  1.00  0.00           C  
HETATM    4  C   UNL     1       1.561  -1.260  -0.121  1.00  0.00           C  
HETATM    5  C   UNL     1       0.374  -0.401   0.321  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.057  -0.450   0.167  1.00  0.00           C  
HETATM    7  O   UNL     1       6.806   1.271   1.276  1.00  0.00           O  
HETATM    8  N   UNL     1       6.575  -2.943   0.549  1.00  0.00           N  
HETATM    9  C   UNL     1       5.355  -0.800   0.344  1.00  0.00           C  
HETATM   10  O   UNL     1       7.398  -1.318  -0.718  1.00  0.00           O  
HETATM   11  C   UNL     1      -7.018  -0.040   0.151  1.00  0.00           C  
HETATM   12  C   UNL     1      -8.323  -0.700  -0.302  1.00  0.00           C  
HETATM   13  C   UNL     1      -9.509   0.160   0.139  1.00  0.00           C  
HETATM   14  C   UNL     1     -10.813  -0.500  -0.314  1.00  0.00           C  
HETATM   15  C   UNL     1     -11.999   0.359   0.128  1.00  0.00           C  
HETATM   16  C   UNL     1     -13.303  -0.300  -0.325  1.00  0.00           C  
HETATM   17  C   UNL     1     -14.490   0.559   0.116  1.00  0.00           C  
HETATM   18  C   UNL     1     -15.794  -0.100  -0.337  1.00  0.00           C  
HETATM   19  C   UNL     1     -16.980   0.759   0.105  1.00  0.00           C  
HETATM   20  C   UNL     1     -18.284   0.100  -0.349  1.00  0.00           C  
HETATM   21  C   UNL     1       7.595  -3.820   0.166  1.00  0.00           C  
HETATM   22  C   UNL     1       8.108  -4.732   1.079  1.00  0.00           C  
HETATM   23  C   UNL     1       9.115  -5.597   0.697  1.00  0.00           C  
HETATM   24  C   UNL     1       9.612  -5.556  -0.592  1.00  0.00           C  
HETATM   25  C   UNL     1       9.102  -4.650  -1.504  1.00  0.00           C  
HETATM   26  C   UNL     1       8.092  -3.786  -1.130  1.00  0.00           C  
HETATM   27  C   UNL     1       6.271   1.453   0.202  1.00  0.00           C  
HETATM   28  C   UNL     1       6.444   2.768  -0.513  1.00  0.00           C  
HETATM   29  C   UNL     1       7.332   3.691   0.324  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.342  -1.099  -0.279  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.528  -0.240   0.162  1.00  0.00           C  
HETATM   32  C   UNL     1      -5.832  -0.900  -0.291  1.00  0.00           C  
HETATM   33  N   UNL     1      -0.874  -1.032  -0.113  1.00  0.00           N  
HETATM   34  N   UNL     1       5.523   0.478  -0.351  1.00  0.00           N  
HETATM   35  H   UNL     1       3.970  -2.450   0.340  1.00  0.00           H  
HETATM   36  H   UNL     1       4.049  -1.552  -1.195  1.00  0.00           H  
HETATM   37  H   UNL     1       2.867  -0.508   1.419  1.00  0.00           H  
HETATM   38  H   UNL     1       2.946   0.389  -0.116  1.00  0.00           H  
HETATM   39  H   UNL     1       1.558  -1.352  -1.207  1.00  0.00           H  
HETATM   40  H   UNL     1       1.479  -2.250   0.328  1.00  0.00           H  
HETATM   41  H   UNL     1       0.377  -0.309   1.407  1.00  0.00           H  
HETATM   42  H   UNL     1       0.456   0.589  -0.128  1.00  0.00           H  
HETATM   43  H   UNL     1       5.910  -3.225   1.197  1.00  0.00           H  
HETATM   44  H   UNL     1       5.320  -0.627   1.420  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.937   0.950  -0.298  1.00  0.00           H  
HETATM   46  H   UNL     1      -7.016   0.052   1.237  1.00  0.00           H  
HETATM   47  H   UNL     1      -8.325  -0.792  -1.388  1.00  0.00           H  
HETATM   48  H   UNL     1      -8.404  -1.690   0.147  1.00  0.00           H  
HETATM   49  H   UNL     1      -9.507   0.252   1.225  1.00  0.00           H  
HETATM   50  H   UNL     1      -9.427   1.150  -0.310  1.00  0.00           H  
HETATM   51  H   UNL     1     -10.815  -0.592  -1.400  1.00  0.00           H  
HETATM   52  H   UNL     1     -10.894  -1.490   0.135  1.00  0.00           H  
HETATM   53  H   UNL     1     -11.997   0.452   1.214  1.00  0.00           H  
HETATM   54  H   UNL     1     -11.918   1.349  -0.321  1.00  0.00           H  
HETATM   55  H   UNL     1     -13.306  -0.392  -1.411  1.00  0.00           H  
HETATM   56  H   UNL     1     -13.385  -1.290   0.123  1.00  0.00           H  
HETATM   57  H   UNL     1     -14.487   0.651   1.202  1.00  0.00           H  
HETATM   58  H   UNL     1     -14.408   1.549  -0.333  1.00  0.00           H  
HETATM   59  H   UNL     1     -15.796  -0.192  -1.423  1.00  0.00           H  
HETATM   60  H   UNL     1     -15.875  -1.090   0.112  1.00  0.00           H  
HETATM   61  H   UNL     1     -16.978   0.851   1.191  1.00  0.00           H  
HETATM   62  H   UNL     1     -16.899   1.749  -0.344  1.00  0.00           H  
HETATM   63  H   UNL     1     -18.366  -0.890   0.100  1.00  0.00           H  
HETATM   64  H   UNL     1     -19.129   0.712  -0.034  1.00  0.00           H  
HETATM   65  H   UNL     1     -18.287   0.007  -1.435  1.00  0.00           H  
HETATM   66  H   UNL     1       7.722  -4.763   2.087  1.00  0.00           H  
HETATM   67  H   UNL     1       9.515  -6.306   1.407  1.00  0.00           H  
HETATM   68  H   UNL     1      10.399  -6.233  -0.888  1.00  0.00           H  
HETATM   69  H   UNL     1       9.492  -4.620  -2.511  1.00  0.00           H  
HETATM   70  H   UNL     1       7.692  -3.081  -1.844  1.00  0.00           H  
HETATM   71  H   UNL     1       6.911   2.596  -1.483  1.00  0.00           H  
HETATM   72  H   UNL     1       5.469   3.234  -0.657  1.00  0.00           H  
HETATM   73  H   UNL     1       6.865   3.863   1.294  1.00  0.00           H  
HETATM   74  H   UNL     1       8.307   3.225   0.468  1.00  0.00           H  
HETATM   75  H   UNL     1      -3.344  -1.191  -1.365  1.00  0.00           H  
HETATM   76  H   UNL     1      -3.423  -2.089   0.170  1.00  0.00           H  
HETATM   77  H   UNL     1      -4.526  -0.148   1.248  1.00  0.00           H  
HETATM   78  H   UNL     1      -4.446   0.750  -0.287  1.00  0.00           H  
HETATM   79  H   UNL     1      -5.914  -1.890   0.158  1.00  0.00           H  
HETATM   80  H   UNL     1      -5.834  -0.992  -1.377  1.00  0.00           H  
HETATM   81  H   UNL     1      -0.850  -1.870  -0.601  1.00  0.00           H  
HETATM   82  H   UNL     1       5.095   0.623  -1.210  1.00  0.00           H  
HETATM   83  O   UNL     1       7.495   4.938  -0.354  1.00  0.00           O  
HETATM   84  C   UNL     1       8.313   5.878   0.347  1.00  0.00           C  
HETATM   85  C   UNL     1       8.418   7.169  -0.467  1.00  0.00           C  
HETATM   86  S   UNL     1      -2.097   0.931   0.973  1.00  0.00           S  
HETATM   87  O   UNL     1       7.130   7.782  -0.557  1.00  0.00           O  
HETATM   88  H   UNL     1       7.866   6.095   1.317  1.00  0.00           H  
HETATM   89  H   UNL     1       9.308   5.457   0.491  1.00  0.00           H  
HETATM   90  H   UNL     1       9.111   7.852   0.023  1.00  0.00           H  
HETATM   91  H   UNL     1       8.781   6.939  -1.469  1.00  0.00           H  
HETATM   92  H   UNL     1       7.121   8.607  -1.061  1.00  0.00           H  
CONECT    1    9    8   10   10                                       
CONECT    2    3    9   35   36                                       
CONECT    3    4    2   37   38                                       
CONECT    4    3    5   39   40                                       
CONECT    5   33    4   41   42                                       
CONECT    6   33   30   86   86                                       
CONECT    7   27   27                                                 
CONECT    8    1   21   43                                            
CONECT    9   34    2    1   44                                       
CONECT   10    1    1                                                 
CONECT   11   32   12   45   46                                       
CONECT   12   11   13   47   48                                       
CONECT   13   14   12   49   50                                       
CONECT   14   15   13   51   52                                       
CONECT   15   16   14   53   54                                       
CONECT   16   17   15   55   56                                       
CONECT   17   18   16   57   58                                       
CONECT   18   19   17   59   60                                       
CONECT   19   20   18   61   62                                       
CONECT   20   19   63   64   65                                       
CONECT   21    8   22   22   26                                       
CONECT   22   21   21   23   66                                       
CONECT   23   22   24   24   67                                       
CONECT   24   23   23   25   68                                       
CONECT   25   26   26   24   69                                       
CONECT   26   21   25   25   70                                       
CONECT   27    7    7   34   28                                       
CONECT   28   29   27   71   72                                       
CONECT   29   28   73   74   83                                       
CONECT   30   31    6   75   76                                       
CONECT   31   32   30   77   78                                       
CONECT   32   11   31   79   80                                       
CONECT   33    6    5   81                                            
CONECT   34   27    9   82                                            
CONECT   35    2                                                      
CONECT   36    2                                                      
CONECT   37    3                                                      
CONECT   38    3                                                      
CONECT   39    4                                                      
CONECT   40    4                                                      
CONECT   41    5                                                      
CONECT   42    5                                                      
CONECT   43    8                                                      
CONECT   44    9                                                      
CONECT   45   11                                                      
CONECT   46   11                                                      
CONECT   47   12                                                      
CONECT   48   12                                                      
CONECT   49   13                                                      
CONECT   50   13                                                      
CONECT   51   14                                                      
CONECT   52   14                                                      
CONECT   53   15                                                      
CONECT   54   15                                                      
CONECT   55   16                                                      
CONECT   56   16                                                      
CONECT   57   17                                                      
CONECT   58   17                                                      
CONECT   59   18                                                      
CONECT   60   18                                                      
CONECT   61   19                                                      
CONECT   62   19                                                      
CONECT   63   20                                                      
CONECT   64   20                                                      
CONECT   65   20                                                      
CONECT   66   22                                                      
CONECT   67   23                                                      
CONECT   68   24                                                      
CONECT   69   25                                                      
CONECT   70   26                                                      
CONECT   71   28                                                      
CONECT   72   28                                                      
CONECT   73   29                                                      
CONECT   74   29                                                      
CONECT   75   30                                                      
CONECT   76   30                                                      
CONECT   77   31                                                      
CONECT   78   31                                                      
CONECT   79   32                                                      
CONECT   80   32                                                      
CONECT   81   33                                                      
CONECT   82   34                                                      
CONECT   83   29   84                                                 
CONECT   84   83   85   88   89                                       
CONECT   85   84   87   90   91                                       
CONECT   86    6    6                                                 
CONECT   87   85   92                                                 
CONECT   88   84                                                      
CONECT   89   84                                                      
CONECT   90   85                                                      
CONECT   91   85                                                      
CONECT   92   87                                                      
MASTER        0    0    0    0    0    0    0    0   92    0   92    0
END
