COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       9.939  -0.160  -1.690  1.00  0.00           C  
HETATM    2  C   UNL     1       8.671  -0.115  -1.191  1.00  0.00           C  
HETATM    3  C   UNL     1       8.431   0.635  -0.028  1.00  0.00           C  
HETATM    4  C   UNL     1       9.524   1.311   0.573  1.00  0.00           C  
HETATM    5  C   UNL     1      10.791   1.200  -0.020  1.00  0.00           C  
HETATM    6  C   UNL     1       7.152   0.734   0.550  1.00  0.00           C  
HETATM    7  C   UNL     1       6.984   1.481   1.683  1.00  0.00           C  
HETATM    8  C   UNL     1       8.059   2.143   2.271  1.00  0.00           C  
HETATM    9  C   UNL     1       9.310   2.068   1.737  1.00  0.00           C  
HETATM   10  C   UNL     1       4.828   0.243   0.634  1.00  0.00           C  
HETATM   11  C   UNL     1       3.782  -0.531  -0.127  1.00  0.00           C  
HETATM   12  N   UNL     1      10.943   0.481  -1.108  1.00  0.00           N  
HETATM   13  O   UNL     1       6.094   0.094  -0.012  1.00  0.00           O  
HETATM   14  O   UNL     1       4.091  -1.149  -1.123  1.00  0.00           O  
HETATM   15  N   UNL     1       2.504  -0.536   0.301  1.00  0.00           N  
HETATM   16  C   UNL     1       1.487  -1.289  -0.438  1.00  0.00           C  
HETATM   17  C   UNL     1       1.495  -2.747   0.026  1.00  0.00           C  
HETATM   18  S   UNL     1       3.128  -3.472  -0.284  1.00  0.00           S  
HETATM   19  C   UNL     1       2.942  -5.172   0.321  1.00  0.00           C  
HETATM   20  C   UNL     1       0.130  -0.687  -0.181  1.00  0.00           C  
HETATM   21  O   UNL     1       0.023   0.276   0.548  1.00  0.00           O  
HETATM   22  C   UNL     1      -4.704  -1.139  -0.322  1.00  0.00           C  
HETATM   23  N   UNL     1      -0.964  -1.218  -0.761  1.00  0.00           N  
HETATM   24  O   UNL     1      -5.538  -0.898  -1.168  1.00  0.00           O  
HETATM   25  C   UNL     1      -3.362  -1.697  -0.723  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.530   1.632  -1.184  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.517   0.530  -1.476  1.00  0.00           C  
HETATM   28  C   UNL     1       0.280   3.651  -0.649  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.283  -0.633  -0.510  1.00  0.00           C  
HETATM   30  O   UNL     1      -3.396  -2.072  -2.102  1.00  0.00           O  
HETATM   31  C   UNL     1      -0.305   1.649  -1.824  1.00  0.00           C  
HETATM   32  C   UNL     1      -1.852   2.627  -0.281  1.00  0.00           C  
HETATM   33  C   UNL     1       0.600   2.659  -1.556  1.00  0.00           C  
HETATM   34  C   UNL     1      -0.946   3.634  -0.010  1.00  0.00           C  
HETATM   35  N   UNL     1      -4.976  -0.909   0.978  1.00  0.00           N  
HETATM   36  C   UNL     1      -3.970  -1.076   2.038  1.00  0.00           C  
HETATM   37  C   UNL     1      -6.293  -0.474   1.439  1.00  0.00           C  
HETATM   38  C   UNL     1      -6.133   0.412   2.706  1.00  0.00           C  
HETATM   39  S   UNL     1      -4.805  -0.524   3.576  1.00  0.00           S  
HETATM   40  C   UNL     1      -6.968   0.321   0.352  1.00  0.00           C  
HETATM   41  O   UNL     1      -6.307   1.010  -0.396  1.00  0.00           O  
HETATM   42  N   UNL     1      -8.307   0.268   0.211  1.00  0.00           N  
HETATM   43  C   UNL     1      -8.964   1.041  -0.846  1.00  0.00           C  
HETATM   44  C   UNL     1      -8.431   0.596  -2.210  1.00  0.00           C  
HETATM   45  C   UNL     1      -8.673   2.529  -0.645  1.00  0.00           C  
HETATM   46  C   UNL     1     -10.475   0.804  -0.788  1.00  0.00           C  
HETATM   47  H   UNL     1      10.132  -0.739  -2.581  1.00  0.00           H  
HETATM   48  H   UNL     1       7.867  -0.645  -1.681  1.00  0.00           H  
HETATM   49  H   UNL     1      11.640   1.704   0.417  1.00  0.00           H  
HETATM   50  H   UNL     1       6.003   1.559   2.129  1.00  0.00           H  
HETATM   51  H   UNL     1       7.898   2.726   3.165  1.00  0.00           H  
HETATM   52  H   UNL     1      10.132   2.588   2.205  1.00  0.00           H  
HETATM   53  H   UNL     1       4.553   1.298   0.657  1.00  0.00           H  
HETATM   54  H   UNL     1       4.893  -0.138   1.653  1.00  0.00           H  
HETATM   55  H   UNL     1       2.257  -0.042   1.098  1.00  0.00           H  
HETATM   56  H   UNL     1       1.707  -1.246  -1.505  1.00  0.00           H  
HETATM   57  H   UNL     1       1.274  -2.790   1.092  1.00  0.00           H  
HETATM   58  H   UNL     1       0.738  -3.307  -0.524  1.00  0.00           H  
HETATM   59  H   UNL     1       2.685  -5.154   1.381  1.00  0.00           H  
HETATM   60  H   UNL     1       2.149  -5.671  -0.236  1.00  0.00           H  
HETATM   61  H   UNL     1       3.879  -5.712   0.183  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.878  -1.989  -1.344  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.135  -2.571  -0.114  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.382   0.184  -2.501  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.531   0.909  -1.351  1.00  0.00           H  
HETATM   66  H   UNL     1       0.988   4.440  -0.439  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.330  -0.268   0.516  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.593  -1.341  -2.704  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.054   0.873  -2.533  1.00  0.00           H  
HETATM   70  H   UNL     1      -2.812   2.616   0.215  1.00  0.00           H  
HETATM   71  H   UNL     1       1.558   2.672  -2.055  1.00  0.00           H  
HETATM   72  H   UNL     1      -1.196   4.410   0.699  1.00  0.00           H  
HETATM   73  H   UNL     1      -3.678  -2.123   2.121  1.00  0.00           H  
HETATM   74  H   UNL     1      -3.099  -0.453   1.835  1.00  0.00           H  
HETATM   75  H   UNL     1      -6.899  -1.347   1.681  1.00  0.00           H  
HETATM   76  H   UNL     1      -5.804   1.419   2.447  1.00  0.00           H  
HETATM   77  H   UNL     1      -7.051   0.436   3.292  1.00  0.00           H  
HETATM   78  H   UNL     1      -8.837  -0.283   0.809  1.00  0.00           H  
HETATM   79  H   UNL     1      -7.355   0.765  -2.251  1.00  0.00           H  
HETATM   80  H   UNL     1      -8.638  -0.464  -2.353  1.00  0.00           H  
HETATM   81  H   UNL     1      -8.919   1.171  -2.996  1.00  0.00           H  
HETATM   82  H   UNL     1      -9.162   3.104  -1.432  1.00  0.00           H  
HETATM   83  H   UNL     1      -9.053   2.846   0.326  1.00  0.00           H  
HETATM   84  H   UNL     1      -7.597   2.698  -0.687  1.00  0.00           H  
HETATM   85  H   UNL     1     -10.682  -0.257  -0.931  1.00  0.00           H  
HETATM   86  H   UNL     1     -10.855   1.120   0.183  1.00  0.00           H  
HETATM   87  H   UNL     1     -10.963   1.379  -1.574  1.00  0.00           H  
CONECT    1    2   12   12   47                                       
CONECT    2    1    3    3   48                                       
CONECT    3    2    2    4    6                                       
CONECT    4    3    5    5    9                                       
CONECT    5    4    4   12   49                                       
CONECT    6    3    7    7   13                                       
CONECT    7    6    6    8   50                                       
CONECT    8    7    9    9   51                                       
CONECT    9    4    8    8   52                                       
CONECT   10   11   13   53   54                                       
CONECT   11   10   15   14   14                                       
CONECT   12    1    1    5                                            
CONECT   13    6   10                                                 
CONECT   14   11   11                                                 
CONECT   15   11   16   55                                            
CONECT   16   17   20   15   56                                       
CONECT   17   16   18   57   58                                       
CONECT   18   17   19                                                 
CONECT   19   18   59   60   61                                       
CONECT   20   16   23   21   21                                       
CONECT   21   20   20                                                 
CONECT   22   25   35   24   24                                       
CONECT   23   20   29   62                                            
CONECT   24   22   22                                                 
CONECT   25   29   22   30   63                                       
CONECT   26   27   31   31   32                                       
CONECT   27   29   26   64   65                                       
CONECT   28   33   33   34   66                                       
CONECT   29   25   27   23   67                                       
CONECT   30   25   68                                                 
CONECT   31   26   26   33   69                                       
CONECT   32   26   34   34   70                                       
CONECT   33   31   28   28   71                                       
CONECT   34   28   32   32   72                                       
CONECT   35   22   37   36                                            
CONECT   36   35   39   73   74                                       
CONECT   37   38   40   35   75                                       
CONECT   38   37   39   76   77                                       
CONECT   39   38   36                                                 
CONECT   40   37   42   41   41                                       
CONECT   41   40   40                                                 
CONECT   42   40   43   78                                            
CONECT   43   44   45   46   42                                       
CONECT   44   43   79   80   81                                       
CONECT   45   43   82   83   84                                       
CONECT   46   43   85   86   87                                       
CONECT   47    1                                                      
CONECT   48    2                                                      
CONECT   49    5                                                      
CONECT   50    7                                                      
CONECT   51    8                                                      
CONECT   52    9                                                      
CONECT   53   10                                                      
CONECT   54   10                                                      
CONECT   55   15                                                      
CONECT   56   16                                                      
CONECT   57   17                                                      
CONECT   58   17                                                      
CONECT   59   19                                                      
CONECT   60   19                                                      
CONECT   61   19                                                      
CONECT   62   23                                                      
CONECT   63   25                                                      
CONECT   64   27                                                      
CONECT   65   27                                                      
CONECT   66   28                                                      
CONECT   67   29                                                      
CONECT   68   30                                                      
CONECT   69   31                                                      
CONECT   70   32                                                      
CONECT   71   33                                                      
CONECT   72   34                                                      
CONECT   73   36                                                      
CONECT   74   36                                                      
CONECT   75   37                                                      
CONECT   76   38                                                      
CONECT   77   38                                                      
CONECT   78   42                                                      
CONECT   79   44                                                      
CONECT   80   44                                                      
CONECT   81   44                                                      
CONECT   82   45                                                      
CONECT   83   45                                                      
CONECT   84   45                                                      
CONECT   85   46                                                      
CONECT   86   46                                                      
CONECT   87   46                                                      
MASTER        0    0    0    0    0    0    0    0   87    0   87    0
END
