COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       6.484   4.845   0.114  1.00  0.00           N  
HETATM    2  N   UNL     1       0.041   0.204  -1.213  1.00  0.00           N  
HETATM    3  C   UNL     1       0.556  -1.039  -0.635  1.00  0.00           C  
HETATM    4  N   UNL     1       4.081  -2.161   0.183  1.00  0.00           N  
HETATM    5  N   UNL     1      -7.375   0.092   0.933  1.00  0.00           N  
HETATM    6  C   UNL     1       0.076  -2.228  -1.471  1.00  0.00           C  
HETATM    7  N   UNL     1      -3.222   1.877  -1.373  1.00  0.00           N  
HETATM    8  C   UNL     1       2.622  -2.246   0.086  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.233   1.730  -2.431  1.00  0.00           C  
HETATM   10  O   UNL     1       2.566  -0.986  -1.975  1.00  0.00           O  
HETATM   11  O   UNL     1       6.105  -2.053   1.574  1.00  0.00           O  
HETATM   12  O   UNL     1       3.820  -1.663   2.576  1.00  0.00           O  
HETATM   13  O   UNL     1      -1.836   0.057  -0.040  1.00  0.00           O  
HETATM   14  C   UNL     1      -1.192   0.639  -0.887  1.00  0.00           C  
HETATM   15  C   UNL     1       2.086  -1.004  -0.630  1.00  0.00           C  
HETATM   16  C   UNL     1       4.814  -4.161  -1.019  1.00  0.00           C  
HETATM   17  C   UNL     1       4.918  -2.637  -0.921  1.00  0.00           C  
HETATM   18  S   UNL     1       4.785  -1.527   1.542  1.00  0.00           S  
HETATM   19  C   UNL     1      -1.424  -2.335  -1.376  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.224  -1.669  -2.285  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.600  -1.767  -2.198  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.176  -2.532  -1.202  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.377  -3.199  -0.292  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.000  -3.104  -0.382  1.00  0.00           C  
HETATM   25  C   UNL     1       5.591  -4.647  -2.244  1.00  0.00           C  
HETATM   26  C   UNL     1       5.402  -4.795   0.243  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.771   1.848  -1.575  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.838   2.035  -0.194  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.149   3.116  -0.988  1.00  0.00           C  
HETATM   30  C   UNL     1       0.365   3.090  -1.206  1.00  0.00           C  
HETATM   31  C   UNL     1      -1.743   4.344  -1.681  1.00  0.00           C  
HETATM   32  N   UNL     1      -5.175   2.030  -0.276  1.00  0.00           N  
HETATM   33  O   UNL     1      -3.238   2.179   0.853  1.00  0.00           O  
HETATM   34  C   UNL     1      -5.573   1.836  -1.678  1.00  0.00           C  
HETATM   35  C   UNL     1       3.952   1.069   1.655  1.00  0.00           C  
HETATM   36  C   UNL     1       4.087   2.427   1.454  1.00  0.00           C  
HETATM   37  C   UNL     1       5.252   2.930   0.872  1.00  0.00           C  
HETATM   38  C   UNL     1       6.272   2.054   0.497  1.00  0.00           C  
HETATM   39  C   UNL     1       6.126   0.699   0.708  1.00  0.00           C  
HETATM   40  C   UNL     1       4.967   0.206   1.281  1.00  0.00           C  
HETATM   41  C   UNL     1       5.404   4.382   0.653  1.00  0.00           C  
HETATM   42  C   UNL     1      -6.095   2.188   0.854  1.00  0.00           C  
HETATM   43  C   UNL     1      -6.411   0.835   1.437  1.00  0.00           C  
HETATM   44  C   UNL     1      -5.713   0.354   2.497  1.00  0.00           C  
HETATM   45  C   UNL     1      -7.657  -1.091   1.428  1.00  0.00           C  
HETATM   46  S   UNL     1      -6.512  -1.228   2.726  1.00  0.00           S  
HETATM   47  O   UNL     1       6.630   6.238  -0.096  1.00  0.00           O  
HETATM   48  C   UNL     1      -8.709  -2.075   0.986  1.00  0.00           C  
HETATM   49  H   UNL     1       0.588   0.715  -1.831  1.00  0.00           H  
HETATM   50  H   UNL     1       0.192  -1.143   0.387  1.00  0.00           H  
HETATM   51  H   UNL     1       0.365  -2.080  -2.511  1.00  0.00           H  
HETATM   52  H   UNL     1       0.530  -3.144  -1.094  1.00  0.00           H  
HETATM   53  H   UNL     1       2.346  -3.137  -0.477  1.00  0.00           H  
HETATM   54  H   UNL     1       2.194  -2.301   1.087  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.141   2.533  -3.162  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.142   0.758  -2.915  1.00  0.00           H  
HETATM   57  H   UNL     1       2.243  -1.793  -2.399  1.00  0.00           H  
HETATM   58  H   UNL     1       2.427  -0.109  -0.110  1.00  0.00           H  
HETATM   59  H   UNL     1       3.767  -4.448  -1.116  1.00  0.00           H  
HETATM   60  H   UNL     1       5.955  -2.355  -0.739  1.00  0.00           H  
HETATM   61  H   UNL     1       4.578  -2.189  -1.854  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.773  -1.071  -3.064  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.225  -1.246  -2.908  1.00  0.00           H  
HETATM   64  H   UNL     1      -5.251  -2.609  -1.133  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.827  -3.797   0.486  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.376  -3.625   0.328  1.00  0.00           H  
HETATM   67  H   UNL     1       5.516  -5.732  -2.314  1.00  0.00           H  
HETATM   68  H   UNL     1       5.171  -4.195  -3.143  1.00  0.00           H  
HETATM   69  H   UNL     1       6.638  -4.360  -2.148  1.00  0.00           H  
HETATM   70  H   UNL     1       6.449  -4.508   0.339  1.00  0.00           H  
HETATM   71  H   UNL     1       4.849  -4.448   1.115  1.00  0.00           H  
HETATM   72  H   UNL     1       5.328  -5.880   0.173  1.00  0.00           H  
HETATM   73  H   UNL     1      -1.554   1.797  -2.642  1.00  0.00           H  
HETATM   74  H   UNL     1      -1.362   3.164   0.080  1.00  0.00           H  
HETATM   75  H   UNL     1       0.577   2.968  -2.268  1.00  0.00           H  
HETATM   76  H   UNL     1       0.799   4.026  -0.854  1.00  0.00           H  
HETATM   77  H   UNL     1       0.797   2.257  -0.652  1.00  0.00           H  
HETATM   78  H   UNL     1      -1.236   5.242  -1.328  1.00  0.00           H  
HETATM   79  H   UNL     1      -1.611   4.252  -2.759  1.00  0.00           H  
HETATM   80  H   UNL     1      -2.806   4.413  -1.450  1.00  0.00           H  
HETATM   81  H   UNL     1      -6.148   0.916  -1.788  1.00  0.00           H  
HETATM   82  H   UNL     1      -6.147   2.691  -2.035  1.00  0.00           H  
HETATM   83  H   UNL     1       3.051   0.678   2.105  1.00  0.00           H  
HETATM   84  H   UNL     1       3.294   3.099   1.747  1.00  0.00           H  
HETATM   85  H   UNL     1       7.176   2.437   0.045  1.00  0.00           H  
HETATM   86  H   UNL     1       6.914   0.020   0.418  1.00  0.00           H  
HETATM   87  H   UNL     1       4.613   5.058   0.944  1.00  0.00           H  
HETATM   88  H   UNL     1      -5.630   2.813   1.616  1.00  0.00           H  
HETATM   89  H   UNL     1      -7.016   2.659   0.509  1.00  0.00           H  
HETATM   90  H   UNL     1      -4.901   0.804   3.049  1.00  0.00           H  
HETATM   91  H   UNL     1       7.496   6.370  -0.504  1.00  0.00           H  
HETATM   92  H   UNL     1      -8.671  -2.959   1.624  1.00  0.00           H  
HETATM   93  H   UNL     1      -9.694  -1.614   1.063  1.00  0.00           H  
HETATM   94  H   UNL     1      -8.524  -2.365  -0.048  1.00  0.00           H  
CONECT    1   41   41   47                                            
CONECT    2    3   14   49                                            
CONECT    3    2    6   15   50                                       
CONECT    4    8   17   18                                            
CONECT    5   43   45   45                                            
CONECT    6    3   19   51   52                                       
CONECT    7    9   27   28                                            
CONECT    8    4   15   53   54                                       
CONECT    9    7   34   55   56                                       
CONECT   10   15   57                                                 
CONECT   11   18   18                                                 
CONECT   12   18   18                                                 
CONECT   13   14   14                                                 
CONECT   14    2   13   13   27                                       
CONECT   15    3    8   10   58                                       
CONECT   16   17   25   26   59                                       
CONECT   17    4   16   60   61                                       
CONECT   18    4   11   11   12                                       
CONECT   18   12   40                                                 
CONECT   19    6   20   20   24                                       
CONECT   20   19   19   21   62                                       
CONECT   21   20   22   22   63                                       
CONECT   22   21   21   23   64                                       
CONECT   23   22   24   24   65                                       
CONECT   24   19   23   23   66                                       
CONECT   25   16   67   68   69                                       
CONECT   26   16   70   71   72                                       
CONECT   27    7   14   29   73                                       
CONECT   28    7   32   33   33                                       
CONECT   29   27   30   31   74                                       
CONECT   30   29   75   76   77                                       
CONECT   31   29   78   79   80                                       
CONECT   32   28   34   42                                            
CONECT   33   28   28                                                 
CONECT   34    9   32   81   82                                       
CONECT   35   36   40   40   83                                       
CONECT   36   35   37   37   84                                       
CONECT   37   36   36   38   41                                       
CONECT   38   37   39   39   85                                       
CONECT   39   38   38   40   86                                       
CONECT   40   18   35   35   39                                       
CONECT   41    1    1   37   87                                       
CONECT   42   32   43   88   89                                       
CONECT   43    5   42   44   44                                       
CONECT   44   43   43   46   90                                       
CONECT   45    5    5   46   48                                       
CONECT   46   44   45                                                 
CONECT   47    1   91                                                 
CONECT   48   45   92   93   94                                       
CONECT   49    2                                                      
CONECT   50    3                                                      
CONECT   51    6                                                      
CONECT   52    6                                                      
CONECT   53    8                                                      
CONECT   54    8                                                      
CONECT   55    9                                                      
CONECT   56    9                                                      
CONECT   57   10                                                      
CONECT   58   15                                                      
CONECT   59   16                                                      
CONECT   60   17                                                      
CONECT   61   17                                                      
CONECT   62   20                                                      
CONECT   63   21                                                      
CONECT   64   22                                                      
CONECT   65   23                                                      
CONECT   66   24                                                      
CONECT   67   25                                                      
CONECT   68   25                                                      
CONECT   69   25                                                      
CONECT   70   26                                                      
CONECT   71   26                                                      
CONECT   72   26                                                      
CONECT   73   27                                                      
CONECT   74   29                                                      
CONECT   75   30                                                      
CONECT   76   30                                                      
CONECT   77   30                                                      
CONECT   78   31                                                      
CONECT   79   31                                                      
CONECT   80   31                                                      
CONECT   81   34                                                      
CONECT   82   34                                                      
CONECT   83   35                                                      
CONECT   84   36                                                      
CONECT   85   38                                                      
CONECT   86   39                                                      
CONECT   87   41                                                      
CONECT   88   42                                                      
CONECT   89   42                                                      
CONECT   90   44                                                      
CONECT   91   47                                                      
CONECT   92   48                                                      
CONECT   93   48                                                      
CONECT   94   48                                                      
MASTER        0    0    0    0    0    0    0    0   94    0   94    0
END
