COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.938  -2.948  -1.863  1.00  0.00           C  
HETATM    2  C   UNL     1       1.800  -1.001  -0.811  1.00  0.00           C  
HETATM    3  C   UNL     1       2.690  -0.082  -1.607  1.00  0.00           C  
HETATM    4  C   UNL     1       4.155  -0.450  -1.367  1.00  0.00           C  
HETATM    5  C   UNL     1       5.053   0.453  -2.215  1.00  0.00           C  
HETATM    6  C   UNL     1       6.519   0.086  -1.974  1.00  0.00           C  
HETATM    7  C   UNL     1       7.417   0.988  -2.822  1.00  0.00           C  
HETATM    8  C   UNL     1       1.143   1.679  -1.036  1.00  0.00           C  
HETATM    9  C   UNL     1       0.826   3.078  -0.575  1.00  0.00           C  
HETATM   10  C   UNL     1       1.632   3.395   0.686  1.00  0.00           C  
HETATM   11  C   UNL     1       1.406   4.856   1.081  1.00  0.00           C  
HETATM   12  C   UNL     1       2.213   5.174   2.342  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.411   3.034  -1.500  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.876   3.113  -1.158  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.536   2.011  -0.622  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.524   3.179  -0.515  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.934   4.307  -1.050  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.585   4.279  -1.380  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.922  -0.626   0.089  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.863  -1.938  -0.362  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.860  -2.831  -0.016  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.918  -2.417   0.775  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.980  -1.110   1.224  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.986  -0.213   0.884  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.719  -2.386  -1.233  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.412  -3.040  -1.039  1.00  0.00           C  
HETATM   27  C   UNL     1       0.891  -3.161  -0.292  1.00  0.00           C  
HETATM   28  C   UNL     1       0.721  -2.632   1.134  1.00  0.00           C  
HETATM   29  C   UNL     1       2.030  -2.746   1.871  1.00  0.00           C  
HETATM   30  C   UNL     1       2.514  -3.843   2.474  1.00  0.00           C  
HETATM   31  C   UNL     1       4.067  -2.253   2.804  1.00  0.00           C  
HETATM   32  C   UNL     1       5.167  -1.471   3.143  1.00  0.00           C  
HETATM   33  C   UNL     1       5.216  -0.152   2.749  1.00  0.00           C  
HETATM   34  C   UNL     1       4.179   0.407   2.016  1.00  0.00           C  
HETATM   35  C   UNL     1       3.089  -0.342   1.672  1.00  0.00           C  
HETATM   36  C   UNL     1       3.018  -1.681   2.060  1.00  0.00           C  
HETATM   37  N   UNL     1       1.907  -2.352  -1.011  1.00  0.00           N  
HETATM   38  N   UNL     1       8.824   0.635  -2.591  1.00  0.00           N  
HETATM   39  N   UNL     1       2.448   1.309  -1.167  1.00  0.00           N  
HETATM   40  N   UNL     1       1.996   6.576   2.721  1.00  0.00           N  
HETATM   41  N   UNL     1      -0.610   3.183  -0.278  1.00  0.00           N  
HETATM   42  N   UNL     1      -4.823   2.079  -0.316  1.00  0.00           N  
HETATM   43  N   UNL     1      -1.503  -2.524  -0.407  1.00  0.00           N  
HETATM   44  N   UNL     1       3.730  -3.567   3.038  1.00  0.00           N  
HETATM   45  O   UNL     1      -0.489  -3.401  -2.195  1.00  0.00           O  
HETATM   46  O   UNL     1       0.252   0.894  -1.285  1.00  0.00           O  
HETATM   47  O   UNL     1       1.010  -0.555  -0.006  1.00  0.00           O  
HETATM   48  S   UNL     1      -2.650   0.513  -0.346  1.00  0.00           S  
HETATM   49 CL   UNL     1      -4.786  -4.473  -0.575  1.00  0.00          Cl  
HETATM   50 CL   UNL     1      -5.064   1.426   1.448  1.00  0.00          Cl  
HETATM   51  H   UNL     1       3.850  -3.092  -1.284  1.00  0.00           H  
HETATM   52  H   UNL     1       2.589  -3.910  -2.237  1.00  0.00           H  
HETATM   53  H   UNL     1       3.143  -2.284  -2.704  1.00  0.00           H  
HETATM   54  H   UNL     1       2.458  -0.177  -2.668  1.00  0.00           H  
HETATM   55  H   UNL     1       4.395  -0.314  -0.312  1.00  0.00           H  
HETATM   56  H   UNL     1       4.319  -1.490  -1.646  1.00  0.00           H  
HETATM   57  H   UNL     1       4.813   0.318  -3.269  1.00  0.00           H  
HETATM   58  H   UNL     1       4.889   1.494  -1.935  1.00  0.00           H  
HETATM   59  H   UNL     1       6.759   0.221  -0.920  1.00  0.00           H  
HETATM   60  H   UNL     1       6.683  -0.955  -2.253  1.00  0.00           H  
HETATM   61  H   UNL     1       7.176   0.853  -3.876  1.00  0.00           H  
HETATM   62  H   UNL     1       7.253   2.029  -2.543  1.00  0.00           H  
HETATM   63  H   UNL     1       1.086   3.787  -1.361  1.00  0.00           H  
HETATM   64  H   UNL     1       1.308   2.745   1.498  1.00  0.00           H  
HETATM   65  H   UNL     1       2.692   3.232   0.490  1.00  0.00           H  
HETATM   66  H   UNL     1       1.731   5.507   0.269  1.00  0.00           H  
HETATM   67  H   UNL     1       0.347   5.020   1.277  1.00  0.00           H  
HETATM   68  H   UNL     1       1.889   4.523   3.154  1.00  0.00           H  
HETATM   69  H   UNL     1       3.273   5.010   2.146  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.196   2.068  -1.959  1.00  0.00           H  
HETATM   71  H   UNL     1      -1.157   3.831  -2.199  1.00  0.00           H  
HETATM   72  H   UNL     1      -6.572   3.198  -0.256  1.00  0.00           H  
HETATM   73  H   UNL     1      -5.516   5.202  -1.212  1.00  0.00           H  
HETATM   74  H   UNL     1      -3.101   5.149  -1.799  1.00  0.00           H  
HETATM   75  H   UNL     1      -6.696  -3.116   1.042  1.00  0.00           H  
HETATM   76  H   UNL     1      -6.807  -0.791   1.841  1.00  0.00           H  
HETATM   77  H   UNL     1      -2.962  -3.348  -1.686  1.00  0.00           H  
HETATM   78  H   UNL     1      -2.546  -1.648  -2.016  1.00  0.00           H  
HETATM   79  H   UNL     1       1.204  -4.205  -0.264  1.00  0.00           H  
HETATM   80  H   UNL     1       0.412  -1.587   1.099  1.00  0.00           H  
HETATM   81  H   UNL     1      -0.039  -3.218   1.651  1.00  0.00           H  
HETATM   82  H   UNL     1       2.018  -4.801   2.509  1.00  0.00           H  
HETATM   83  H   UNL     1       5.979  -1.897   3.713  1.00  0.00           H  
HETATM   84  H   UNL     1       6.070   0.454   3.013  1.00  0.00           H  
HETATM   85  H   UNL     1       4.233   1.443   1.714  1.00  0.00           H  
HETATM   86  H   UNL     1       2.285   0.100   1.101  1.00  0.00           H  
HETATM   87  H   UNL     1       9.438   1.218  -3.140  1.00  0.00           H  
HETATM   88  H   UNL     1       9.054   0.691  -1.610  1.00  0.00           H  
HETATM   89  H   UNL     1       3.177   1.922  -0.982  1.00  0.00           H  
HETATM   90  H   UNL     1       1.014   6.769   2.845  1.00  0.00           H  
HETATM   91  H   UNL     1       2.519   6.811   3.552  1.00  0.00           H  
HETATM   92  H   UNL     1      -0.885   2.507   0.419  1.00  0.00           H  
HETATM   93  H   UNL     1      -1.481  -2.263   0.527  1.00  0.00           H  
HETATM   94  H   UNL     1       4.274  -4.203   3.529  1.00  0.00           H  
CONECT    1   37   51   52   53                                       
CONECT    2   47   47    3   37                                       
CONECT    3   39    2    4   54                                       
CONECT    4    3    5   55   56                                       
CONECT    5    4    6   57   58                                       
CONECT    6    5    7   59   60                                       
CONECT    7    6   38   61   62                                       
CONECT    8    9   46   46   39                                       
CONECT    9   10   41    8   63                                       
CONECT   10   11    9   64   65                                       
CONECT   11   12   10   66   67                                       
CONECT   12   40   11   68   69                                       
CONECT   13   41   14   70   71                                       
CONECT   14   13   18   18   15                                       
CONECT   15   14   48   42   42                                       
CONECT   16   17   17   42   72                                       
CONECT   17   18   16   16   73                                       
CONECT   18   14   14   17   74                                       
CONECT   19   48   20   20   24                                       
CONECT   20   25   19   19   21                                       
CONECT   21   20   49   22   22                                       
CONECT   22   21   21   23   75                                       
CONECT   23   24   24   22   76                                       
CONECT   24   19   50   23   23                                       
CONECT   25   43   20   77   78                                       
CONECT   26   43   27   45   45                                       
CONECT   27   37   26   28   79                                       
CONECT   28   27   29   80   81                                       
CONECT   29   28   30   30   36                                       
CONECT   30   29   29   44   82                                       
CONECT   31   36   44   32   32                                       
CONECT   32   31   31   33   83                                       
CONECT   33   34   34   32   84                                       
CONECT   34   35   33   33   85                                       
CONECT   35   36   36   34   86                                       
CONECT   36   29   35   35   31                                       
CONECT   37    2    1   27                                            
CONECT   38    7   87   88                                            
CONECT   39    8    3   89                                            
CONECT   40   12   90   91                                            
CONECT   41    9   13   92                                            
CONECT   42   15   15   16                                            
CONECT   43   25   26   93                                            
CONECT   44   30   31   94                                            
CONECT   45   26   26                                                 
CONECT   46    8    8                                                 
CONECT   47    2    2                                                 
CONECT   48   15   19                                                 
CONECT   49   21                                                      
CONECT   50   24                                                      
CONECT   51    1                                                      
CONECT   52    1                                                      
CONECT   53    1                                                      
CONECT   54    3                                                      
CONECT   55    4                                                      
CONECT   56    4                                                      
CONECT   57    5                                                      
CONECT   58    5                                                      
CONECT   59    6                                                      
CONECT   60    6                                                      
CONECT   61    7                                                      
CONECT   62    7                                                      
CONECT   63    9                                                      
CONECT   64   10                                                      
CONECT   65   10                                                      
CONECT   66   11                                                      
CONECT   67   11                                                      
CONECT   68   12                                                      
CONECT   69   12                                                      
CONECT   70   13                                                      
CONECT   71   13                                                      
CONECT   72   16                                                      
CONECT   73   17                                                      
CONECT   74   18                                                      
CONECT   75   22                                                      
CONECT   76   23                                                      
CONECT   77   25                                                      
CONECT   78   25                                                      
CONECT   79   27                                                      
CONECT   80   28                                                      
CONECT   81   28                                                      
CONECT   82   30                                                      
CONECT   83   32                                                      
CONECT   84   33                                                      
CONECT   85   34                                                      
CONECT   86   35                                                      
CONECT   87   38                                                      
CONECT   88   38                                                      
CONECT   89   39                                                      
CONECT   90   40                                                      
CONECT   91   40                                                      
CONECT   92   41                                                      
CONECT   93   43                                                      
CONECT   94   44                                                      
MASTER        0    0    0    0    0    0    0    0   94    0   94    0
END
