COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.794  -0.962  -1.520  1.00  0.00           C  
HETATM    2  C   UNL     1      -8.156  -0.854  -1.304  1.00  0.00           C  
HETATM    3  N   UNL     1      -9.150  -4.391  -1.350  1.00  0.00           N  
HETATM    4  C   UNL     1      -8.360  -3.241  -1.411  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.214  -2.207  -1.682  1.00  0.00           C  
HETATM    6  O   UNL     1      -4.642   0.143  -2.346  1.00  0.00           O  
HETATM    7  S   UNL     1      -5.799   0.489  -1.597  1.00  0.00           S  
HETATM    8  O   UNL     1      -6.668   1.554  -1.957  1.00  0.00           O  
HETATM    9  C   UNL     1      -6.992  -3.346  -1.628  1.00  0.00           C  
HETATM   10  C   UNL     1      -8.939  -1.989  -1.243  1.00  0.00           C  
HETATM   11  N   UNL     1      -5.280   0.810  -0.058  1.00  0.00           N  
HETATM   12  C   UNL     1      -6.079   1.668   0.821  1.00  0.00           C  
HETATM   13  C   UNL     1      -7.037   0.804   1.643  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.233  -0.120   2.559  1.00  0.00           C  
HETATM   15  C   UNL     1      -7.936   1.706   2.491  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.022   0.236   0.426  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.885   1.234   0.198  1.00  0.00           C  
HETATM   18  O   UNL     1      -3.103   2.396   1.001  1.00  0.00           O  
HETATM   19  C   UNL     1      -1.554   0.588   0.588  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.546   0.301   2.091  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.288  -0.445   2.453  1.00  0.00           C  
HETATM   22  C   UNL     1       0.850   0.252   2.815  1.00  0.00           C  
HETATM   23  C   UNL     1       2.004  -0.432   3.147  1.00  0.00           C  
HETATM   24  C   UNL     1       2.020  -1.814   3.118  1.00  0.00           C  
HETATM   25  C   UNL     1       0.883  -2.512   2.757  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.273  -1.827   2.430  1.00  0.00           C  
HETATM   27  N   UNL     1      -0.454   1.498   0.259  1.00  0.00           N  
HETATM   28  C   UNL     1       0.780   1.009   0.028  1.00  0.00           C  
HETATM   29  O   UNL     1       0.981  -0.188   0.093  1.00  0.00           O  
HETATM   30  C   UNL     1       1.890   1.928  -0.304  1.00  0.00           C  
HETATM   31  C   UNL     1       3.167   1.423  -0.549  1.00  0.00           C  
HETATM   32  C   UNL     1       4.202   2.291  -0.860  1.00  0.00           C  
HETATM   33  C   UNL     1       3.966   3.659  -0.928  1.00  0.00           C  
HETATM   34  C   UNL     1       5.093   4.600  -1.267  1.00  0.00           C  
HETATM   35  C   UNL     1       2.700   4.159  -0.686  1.00  0.00           C  
HETATM   36  C   UNL     1       1.662   3.303  -0.380  1.00  0.00           C  
HETATM   37  N   UNL     1       5.485   1.790  -1.106  1.00  0.00           N  
HETATM   38  C   UNL     1       5.911   0.636  -0.470  1.00  0.00           C  
HETATM   39  N   UNL     1       7.084   0.115  -0.796  1.00  0.00           N  
HETATM   40  C   UNL     1       7.524  -0.990  -0.199  1.00  0.00           C  
HETATM   41  C   UNL     1       6.731  -1.593   0.780  1.00  0.00           C  
HETATM   42  C   UNL     1       5.512  -1.014   1.089  1.00  0.00           C  
HETATM   43  N   UNL     1       5.138   0.085   0.455  1.00  0.00           N  
HETATM   44  C   UNL     1       8.838  -1.571  -0.567  1.00  0.00           C  
HETATM   45  C   UNL     1       9.633  -0.968  -1.546  1.00  0.00           C  
HETATM   46  C   UNL     1      10.851  -1.550  -1.853  1.00  0.00           C  
HETATM   47  C   UNL     1      11.239  -2.698  -1.188  1.00  0.00           C  
HETATM   48  N   UNL     1      10.467  -3.245  -0.268  1.00  0.00           N  
HETATM   49  C   UNL     1       9.303  -2.725   0.062  1.00  0.00           C  
HETATM   50  H   UNL     1      -8.607   0.120  -1.182  1.00  0.00           H  
HETATM   51  H   UNL     1     -10.104  -4.317  -1.190  1.00  0.00           H  
HETATM   52  H   UNL     1      -8.744  -5.265  -1.468  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.150  -2.287  -1.852  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.539  -4.317  -1.759  1.00  0.00           H  
HETATM   55  H   UNL     1     -10.003  -1.904  -1.074  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.418   2.217   1.492  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.651   2.373   0.218  1.00  0.00           H  
HETATM   58  H   UNL     1      -7.653   0.205   0.972  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.525   0.471   3.141  1.00  0.00           H  
HETATM   60  H   UNL     1      -6.910  -0.643   3.234  1.00  0.00           H  
HETATM   61  H   UNL     1      -5.689  -0.846   1.955  1.00  0.00           H  
HETATM   62  H   UNL     1      -8.510   2.365   1.839  1.00  0.00           H  
HETATM   63  H   UNL     1      -8.619   1.091   3.077  1.00  0.00           H  
HETATM   64  H   UNL     1      -7.321   2.305   3.162  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.107   0.019   1.491  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.811  -0.686  -0.117  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.856   1.519  -0.853  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.140   2.217   1.951  1.00  0.00           H  
HETATM   69  H   UNL     1      -1.429  -0.346   0.039  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.581   1.242   2.640  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.415  -0.304   2.350  1.00  0.00           H  
HETATM   72  H   UNL     1       0.837   1.332   2.838  1.00  0.00           H  
HETATM   73  H   UNL     1       2.892   0.112   3.430  1.00  0.00           H  
HETATM   74  H   UNL     1       2.922  -2.349   3.377  1.00  0.00           H  
HETATM   75  H   UNL     1       0.896  -3.591   2.733  1.00  0.00           H  
HETATM   76  H   UNL     1      -1.162  -2.372   2.148  1.00  0.00           H  
HETATM   77  H   UNL     1      -0.614   2.454   0.206  1.00  0.00           H  
HETATM   78  H   UNL     1       3.349   0.360  -0.496  1.00  0.00           H  
HETATM   79  H   UNL     1       5.138   4.739  -2.347  1.00  0.00           H  
HETATM   80  H   UNL     1       4.920   5.562  -0.784  1.00  0.00           H  
HETATM   81  H   UNL     1       6.035   4.181  -0.914  1.00  0.00           H  
HETATM   82  H   UNL     1       2.522   5.223  -0.740  1.00  0.00           H  
HETATM   83  H   UNL     1       0.673   3.697  -0.195  1.00  0.00           H  
HETATM   84  H   UNL     1       6.075   2.251  -1.723  1.00  0.00           H  
HETATM   85  H   UNL     1       7.060  -2.490   1.282  1.00  0.00           H  
HETATM   86  H   UNL     1       4.874  -1.455   1.841  1.00  0.00           H  
HETATM   87  H   UNL     1       9.305  -0.071  -2.050  1.00  0.00           H  
HETATM   88  H   UNL     1      11.491  -1.112  -2.604  1.00  0.00           H  
HETATM   89  H   UNL     1      12.188  -3.155  -1.425  1.00  0.00           H  
HETATM   90  H   UNL     1       8.699  -3.202   0.820  1.00  0.00           H  
CONECT    1    5    5    2    7                                       
CONECT    2   10   10    1   50                                       
CONECT    3    4   51   52                                            
CONECT    4    3    9    9   10                                       
CONECT    5    9    1    1   53                                       
CONECT    6    7    7                                                 
CONECT    7    8    8    1    6                                       
CONECT    7    6   11                                                 
CONECT    8    7    7                                                 
CONECT    9    4    4    5   54                                       
CONECT   10    4    2    2   55                                       
CONECT   11    7   16   12                                            
CONECT   12   11   13   56   57                                       
CONECT   13   12   15   14   58                                       
CONECT   14   13   59   60   61                                       
CONECT   15   13   62   63   64                                       
CONECT   16   11   17   65   66                                       
CONECT   17   19   16   18   67                                       
CONECT   18   17   68                                                 
CONECT   19   20   27   17   69                                       
CONECT   20   21   19   70   71                                       
CONECT   21   22   22   26   20                                       
CONECT   22   23   21   21   72                                       
CONECT   23   24   24   22   73                                       
CONECT   24   23   23   25   74                                       
CONECT   25   24   26   26   75                                       
CONECT   26   25   25   21   76                                       
CONECT   27   19   28   77                                            
CONECT   28   27   29   29   30                                       
CONECT   29   28   28                                                 
CONECT   30   31   28   36   36                                       
CONECT   31   32   32   30   78                                       
CONECT   32   37   31   31   33                                       
CONECT   33   32   34   35   35                                       
CONECT   34   33   79   80   81                                       
CONECT   35   33   33   36   82                                       
CONECT   36   30   30   35   83                                       
CONECT   37   38   32   84                                            
CONECT   38   39   39   43   37                                       
CONECT   39   40   38   38                                            
CONECT   40   44   41   41   39                                       
CONECT   41   40   40   42   85                                       
CONECT   42   41   43   43   86                                       
CONECT   43   42   42   38                                            
CONECT   44   45   45   49   40                                       
CONECT   45   46   44   44   87                                       
CONECT   46   47   47   45   88                                       
CONECT   47   46   46   48   89                                       
CONECT   48   47   49   49                                            
CONECT   49   48   48   44   90                                       
CONECT   50    2                                                      
CONECT   51    3                                                      
CONECT   52    3                                                      
CONECT   53    5                                                      
CONECT   54    9                                                      
CONECT   55   10                                                      
CONECT   56   12                                                      
CONECT   57   12                                                      
CONECT   58   13                                                      
CONECT   59   14                                                      
CONECT   60   14                                                      
CONECT   61   14                                                      
CONECT   62   15                                                      
CONECT   63   15                                                      
CONECT   64   15                                                      
CONECT   65   16                                                      
CONECT   66   16                                                      
CONECT   67   17                                                      
CONECT   68   18                                                      
CONECT   69   19                                                      
CONECT   70   20                                                      
CONECT   71   20                                                      
CONECT   72   22                                                      
CONECT   73   23                                                      
CONECT   74   24                                                      
CONECT   75   25                                                      
CONECT   76   26                                                      
CONECT   77   27                                                      
CONECT   78   31                                                      
CONECT   79   34                                                      
CONECT   80   34                                                      
CONECT   81   34                                                      
CONECT   82   35                                                      
CONECT   83   36                                                      
CONECT   84   37                                                      
CONECT   85   41                                                      
CONECT   86   42                                                      
CONECT   87   45                                                      
CONECT   88   46                                                      
CONECT   89   47                                                      
CONECT   90   49                                                      
MASTER        0    0    0    0    0    0    0    0   90    0   90    0
END
