COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.290   0.045   0.837  1.00  0.00           C  
HETATM    2  N   UNL     1       1.493  -0.600  -0.468  1.00  0.00           N  
HETATM    3  C   UNL     1       0.350  -1.449  -0.827  1.00  0.00           C  
HETATM    4  C   UNL     1       0.076   0.977   0.758  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.902  -0.578  -0.974  1.00  0.00           C  
HETATM    6  N   UNL     1      -1.073   0.208   0.259  1.00  0.00           N  
HETATM    7  C   UNL     1       0.372   2.114  -0.186  1.00  0.00           C  
HETATM    8  N   UNL     1       1.404   2.946   0.063  1.00  0.00           N  
HETATM    9  O   UNL     1      -0.317   2.282  -1.169  1.00  0.00           O  
HETATM   10  C   UNL     1       1.691   4.051  -0.854  1.00  0.00           C  
HETATM   11  C   UNL     1       2.884   4.823  -0.352  1.00  0.00           C  
HETATM   12  S   UNL     1       2.816   6.193   0.749  1.00  0.00           S  
HETATM   13  C   UNL     1       4.567   6.347   0.714  1.00  0.00           C  
HETATM   14  C   UNL     1       5.083   5.409  -0.082  1.00  0.00           C  
HETATM   15  C   UNL     1       4.155   4.568  -0.670  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.251   0.220   0.914  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.416  -0.577   0.385  1.00  0.00           C  
HETATM   18  O   UNL     1      -2.374   0.873   1.928  1.00  0.00           O  
HETATM   19  C   UNL     1      -3.300  -2.026   0.861  1.00  0.00           C  
HETATM   20  N   UNL     1      -4.671   0.002   0.880  1.00  0.00           N  
HETATM   21  C   UNL     1      -4.382  -2.872   0.188  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.071   1.162   0.072  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.155  -4.349   0.518  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.237  -5.195  -0.155  1.00  0.00           C  
HETATM   25  C   UNL     1      -6.613  -4.764   0.357  1.00  0.00           C  
HETATM   26  C   UNL     1      -6.841  -3.288   0.027  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.758  -2.442   0.700  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.933   2.101   0.918  1.00  0.00           C  
HETATM   29  C   UNL     1      -6.350   3.308   0.077  1.00  0.00           C  
HETATM   30  C   UNL     1      -7.153   2.832  -1.136  1.00  0.00           C  
HETATM   31  C   UNL     1      -6.291   1.894  -1.982  1.00  0.00           C  
HETATM   32  C   UNL     1      -5.874   0.686  -1.140  1.00  0.00           C  
HETATM   33  C   UNL     1       2.667  -1.320  -0.484  1.00  0.00           C  
HETATM   34  N   UNL     1       3.494  -1.428   0.524  1.00  0.00           N  
HETATM   35  C   UNL     1       4.541  -2.213   0.147  1.00  0.00           C  
HETATM   36  C   UNL     1       4.302  -2.590  -1.183  1.00  0.00           C  
HETATM   37  O   UNL     1       3.126  -2.020  -1.536  1.00  0.00           O  
HETATM   38  C   UNL     1       5.693  -2.659   0.796  1.00  0.00           C  
HETATM   39  C   UNL     1       6.587  -3.466   0.124  1.00  0.00           C  
HETATM   40  C   UNL     1       6.346  -3.836  -1.191  1.00  0.00           C  
HETATM   41  C   UNL     1       5.209  -3.402  -1.843  1.00  0.00           C  
HETATM   42 CL   UNL     1       8.021  -4.023   0.929  1.00  0.00          Cl  
HETATM   43  H   UNL     1       1.114  -0.718   1.596  1.00  0.00           H  
HETATM   44  H   UNL     1       2.176   0.622   1.099  1.00  0.00           H  
HETATM   45  H   UNL     1       0.554  -1.954  -1.771  1.00  0.00           H  
HETATM   46  H   UNL     1       0.187  -2.191  -0.045  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.146   1.373   1.749  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.782   0.095  -1.823  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.775  -1.213  -1.127  1.00  0.00           H  
HETATM   50  H   UNL     1       1.956   2.812   0.850  1.00  0.00           H  
HETATM   51  H   UNL     1       1.907   3.653  -1.846  1.00  0.00           H  
HETATM   52  H   UNL     1       0.827   4.713  -0.908  1.00  0.00           H  
HETATM   53  H   UNL     1       5.138   7.088   1.254  1.00  0.00           H  
HETATM   54  H   UNL     1       6.145   5.313  -0.254  1.00  0.00           H  
HETATM   55  H   UNL     1       4.437   3.764  -1.333  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.409  -0.551  -0.705  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.317  -2.418   0.598  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.429  -2.065   1.943  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.595   0.250   1.855  1.00  0.00           H  
HETATM   60  H   UNL     1      -4.335  -2.730  -0.892  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.181   1.693  -0.267  1.00  0.00           H  
HETATM   62  H   UNL     1      -3.174  -4.656   0.153  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.201  -4.491   1.598  1.00  0.00           H  
HETATM   64  H   UNL     1      -5.190  -5.053  -1.235  1.00  0.00           H  
HETATM   65  H   UNL     1      -5.075  -6.247   0.080  1.00  0.00           H  
HETATM   66  H   UNL     1      -7.384  -5.367  -0.123  1.00  0.00           H  
HETATM   67  H   UNL     1      -6.660  -4.906   1.437  1.00  0.00           H  
HETATM   68  H   UNL     1      -6.794  -3.146  -1.053  1.00  0.00           H  
HETATM   69  H   UNL     1      -7.821  -2.981   0.391  1.00  0.00           H  
HETATM   70  H   UNL     1      -5.805  -2.584   1.780  1.00  0.00           H  
HETATM   71  H   UNL     1      -5.920  -1.390   0.464  1.00  0.00           H  
HETATM   72  H   UNL     1      -6.823   1.570   1.257  1.00  0.00           H  
HETATM   73  H   UNL     1      -5.361   2.440   1.782  1.00  0.00           H  
HETATM   74  H   UNL     1      -6.964   3.977   0.680  1.00  0.00           H  
HETATM   75  H   UNL     1      -5.460   3.839  -0.262  1.00  0.00           H  
HETATM   76  H   UNL     1      -8.042   2.302  -0.797  1.00  0.00           H  
HETATM   77  H   UNL     1      -7.450   3.693  -1.735  1.00  0.00           H  
HETATM   78  H   UNL     1      -6.863   1.555  -2.846  1.00  0.00           H  
HETATM   79  H   UNL     1      -5.401   2.425  -2.321  1.00  0.00           H  
HETATM   80  H   UNL     1      -5.260   0.018  -1.743  1.00  0.00           H  
HETATM   81  H   UNL     1      -6.764   0.155  -0.801  1.00  0.00           H  
HETATM   82  H   UNL     1       5.884  -2.373   1.820  1.00  0.00           H  
HETATM   83  H   UNL     1       7.053  -4.468  -1.708  1.00  0.00           H  
HETATM   84  H   UNL     1       5.028  -3.694  -2.867  1.00  0.00           H  
CONECT    1    4    2   43   44                                       
CONECT    2    3    1   33                                            
CONECT    3    5    2   45   46                                       
CONECT    4    6    7    1   47                                       
CONECT    5    6    3   48   49                                       
CONECT    6   16    5    4                                            
CONECT    7    9    9    4    8                                       
CONECT    8    7   10   50                                            
CONECT    9    7    7                                                 
CONECT   10   11    8   51   52                                       
CONECT   11   12   15   15   10                                       
CONECT   12   13   11                                                 
CONECT   13   12   14   14   53                                       
CONECT   14   13   13   15   54                                       
CONECT   15   14   11   11   55                                       
CONECT   16   17   18   18    6                                       
CONECT   17   20   19   16   56                                       
CONECT   18   16   16                                                 
CONECT   19   17   21   57   58                                       
CONECT   20   22   17   59                                            
CONECT   21   19   27   23   60                                       
CONECT   22   28   32   20   61                                       
CONECT   23   21   24   62   63                                       
CONECT   24   23   25   64   65                                       
CONECT   25   26   24   66   67                                       
CONECT   26   27   25   68   69                                       
CONECT   27   21   26   70   71                                       
CONECT   28   29   22   72   73                                       
CONECT   29   30   28   74   75                                       
CONECT   30   29   31   76   77                                       
CONECT   31   30   32   78   79                                       
CONECT   32   31   22   80   81                                       
CONECT   33    2   34   34   37                                       
CONECT   34   33   33   35                                            
CONECT   35   34   38   38   36                                       
CONECT   36   35   37   41   41                                       
CONECT   37   33   36                                                 
CONECT   38   35   35   39   82                                       
CONECT   39   38   42   40   40                                       
CONECT   40   39   39   41   83                                       
CONECT   41   36   36   40   84                                       
CONECT   42   39                                                      
CONECT   43    1                                                      
CONECT   44    1                                                      
CONECT   45    3                                                      
CONECT   46    3                                                      
CONECT   47    4                                                      
CONECT   48    5                                                      
CONECT   49    5                                                      
CONECT   50    8                                                      
CONECT   51   10                                                      
CONECT   52   10                                                      
CONECT   53   13                                                      
CONECT   54   14                                                      
CONECT   55   15                                                      
CONECT   56   17                                                      
CONECT   57   19                                                      
CONECT   58   19                                                      
CONECT   59   20                                                      
CONECT   60   21                                                      
CONECT   61   22                                                      
CONECT   62   23                                                      
CONECT   63   23                                                      
CONECT   64   24                                                      
CONECT   65   24                                                      
CONECT   66   25                                                      
CONECT   67   25                                                      
CONECT   68   26                                                      
CONECT   69   26                                                      
CONECT   70   27                                                      
CONECT   71   27                                                      
CONECT   72   28                                                      
CONECT   73   28                                                      
CONECT   74   29                                                      
CONECT   75   29                                                      
CONECT   76   30                                                      
CONECT   77   30                                                      
CONECT   78   31                                                      
CONECT   79   31                                                      
CONECT   80   32                                                      
CONECT   81   32                                                      
CONECT   82   38                                                      
CONECT   83   40                                                      
CONECT   84   41                                                      
MASTER        0    0    0    0    0    0    0    0   84    0   84    0
END
