COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.711   1.672  -2.012  1.00  0.00           C  
HETATM    2  C   UNL     1       4.636   2.625  -2.724  1.00  0.00           C  
HETATM    3  C   UNL     1       4.203   4.064  -2.440  1.00  0.00           C  
HETATM    4  O   UNL     1       2.796   2.102  -1.342  1.00  0.00           O  
HETATM    5  N   UNL     1       3.898   0.342  -2.124  1.00  0.00           N  
HETATM    6  C   UNL     1       2.999  -0.585  -1.431  1.00  0.00           C  
HETATM    7  C   UNL     1       3.063  -0.328   0.076  1.00  0.00           C  
HETATM    8  C   UNL     1       4.444  -0.658   0.583  1.00  0.00           C  
HETATM    9  S   UNL     1       4.916  -2.196   1.150  1.00  0.00           S  
HETATM   10  C   UNL     1       6.542  -1.605   1.477  1.00  0.00           C  
HETATM   11  C   UNL     1       7.672  -2.237   1.992  1.00  0.00           C  
HETATM   12  C   UNL     1       8.843  -1.529   2.149  1.00  0.00           C  
HETATM   13 CL   UNL     1      10.252  -2.315   2.789  1.00  0.00          Cl  
HETATM   14  C   UNL     1       8.898  -0.188   1.795  1.00  0.00           C  
HETATM   15  C   UNL     1       7.802   0.445   1.290  1.00  0.00           C  
HETATM   16  C   UNL     1       6.591  -0.253   1.118  1.00  0.00           C  
HETATM   17  N   UNL     1       5.409   0.179   0.637  1.00  0.00           N  
HETATM   18  C   UNL     1       1.588  -0.373  -1.917  1.00  0.00           C  
HETATM   19  O   UNL     1       1.283   0.667  -2.461  1.00  0.00           O  
HETATM   20  C   UNL     1      -1.450  -0.435  -0.971  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.731  -1.094  -2.119  1.00  0.00           C  
HETATM   22  N   UNL     1       0.664  -1.340  -1.746  1.00  0.00           N  
HETATM   23  O   UNL     1      -0.855  -0.194   0.058  1.00  0.00           O  
HETATM   24  C   UNL     1      -1.412  -2.423  -2.451  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.620  -3.179  -3.538  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.659  -3.854  -4.451  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.047  -3.484  -3.886  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.799  -2.176  -3.095  1.00  0.00           C  
HETATM   29  N   UNL     1      -2.753  -0.113  -1.087  1.00  0.00           N  
HETATM   30  C   UNL     1      -3.452   0.528   0.030  1.00  0.00           C  
HETATM   31  C   UNL     1      -3.224   2.040  -0.027  1.00  0.00           C  
HETATM   32  C   UNL     1      -1.741   2.342   0.197  1.00  0.00           C  
HETATM   33  C   UNL     1      -1.514   3.854   0.141  1.00  0.00           C  
HETATM   34  C   UNL     1      -0.031   4.155   0.365  1.00  0.00           C  
HETATM   35  N   UNL     1       0.188   5.607   0.310  1.00  0.00           N  
HETATM   36  C   UNL     1      -0.479   6.282   1.432  1.00  0.00           C  
HETATM   37  C   UNL     1       1.622   5.923   0.284  1.00  0.00           C  
HETATM   38  C   UNL     1      -4.928   0.238  -0.068  1.00  0.00           C  
HETATM   39  O   UNL     1      -5.354  -0.437  -0.981  1.00  0.00           O  
HETATM   40  N   UNL     1      -5.774   0.730   0.859  1.00  0.00           N  
HETATM   41  C   UNL     1      -7.208   0.448   0.763  1.00  0.00           C  
HETATM   42  C   UNL     1      -7.993   1.552   1.477  1.00  0.00           C  
HETATM   43  C   UNL     1      -9.449   1.091   1.623  1.00  0.00           C  
HETATM   44  O   UNL     1      -9.476  -0.049   2.482  1.00  0.00           O  
HETATM   45  C   UNL     1      -8.608  -1.061   2.222  1.00  0.00           C  
HETATM   46  C   UNL     1      -8.848  -2.306   2.795  1.00  0.00           C  
HETATM   47  C   UNL     1      -7.987  -3.357   2.558  1.00  0.00           C  
HETATM   48  C   UNL     1      -6.881  -3.175   1.748  1.00  0.00           C  
HETATM   49  C   UNL     1      -6.640  -1.941   1.176  1.00  0.00           C  
HETATM   50  C   UNL     1      -7.502  -0.882   1.409  1.00  0.00           C  
HETATM   51  H   UNL     1       5.656   2.475  -2.370  1.00  0.00           H  
HETATM   52  H   UNL     1       4.594   2.438  -3.797  1.00  0.00           H  
HETATM   53  H   UNL     1       4.245   4.251  -1.366  1.00  0.00           H  
HETATM   54  H   UNL     1       4.872   4.753  -2.955  1.00  0.00           H  
HETATM   55  H   UNL     1       3.183   4.214  -2.794  1.00  0.00           H  
HETATM   56  H   UNL     1       4.627  -0.002  -2.662  1.00  0.00           H  
HETATM   57  H   UNL     1       3.304  -1.611  -1.638  1.00  0.00           H  
HETATM   58  H   UNL     1       2.844   0.721   0.275  1.00  0.00           H  
HETATM   59  H   UNL     1       2.330  -0.955   0.583  1.00  0.00           H  
HETATM   60  H   UNL     1       7.629  -3.280   2.267  1.00  0.00           H  
HETATM   61  H   UNL     1       9.820   0.361   1.921  1.00  0.00           H  
HETATM   62  H   UNL     1       7.863   1.489   1.020  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.764  -0.441  -2.992  1.00  0.00           H  
HETATM   64  H   UNL     1       0.923  -2.198  -1.376  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.509  -3.036  -1.555  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.015  -2.479  -4.115  1.00  0.00           H  
HETATM   67  H   UNL     1       0.019  -3.933  -3.079  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.559  -3.480  -5.470  1.00  0.00           H  
HETATM   69  H   UNL     1      -1.525  -4.935  -4.434  1.00  0.00           H  
HETATM   70  H   UNL     1      -3.754  -3.312  -4.697  1.00  0.00           H  
HETATM   71  H   UNL     1      -3.411  -4.270  -3.224  1.00  0.00           H  
HETATM   72  H   UNL     1      -3.561  -2.038  -2.328  1.00  0.00           H  
HETATM   73  H   UNL     1      -2.766  -1.319  -3.767  1.00  0.00           H  
HETATM   74  H   UNL     1      -3.229  -0.305  -1.910  1.00  0.00           H  
HETATM   75  H   UNL     1      -3.067   0.138   0.971  1.00  0.00           H  
HETATM   76  H   UNL     1      -3.528   2.417  -1.004  1.00  0.00           H  
HETATM   77  H   UNL     1      -3.815   2.526   0.750  1.00  0.00           H  
HETATM   78  H   UNL     1      -1.438   1.965   1.174  1.00  0.00           H  
HETATM   79  H   UNL     1      -1.151   1.856  -0.580  1.00  0.00           H  
HETATM   80  H   UNL     1      -1.818   4.231  -0.836  1.00  0.00           H  
HETATM   81  H   UNL     1      -2.105   4.339   0.917  1.00  0.00           H  
HETATM   82  H   UNL     1       0.273   3.778   1.341  1.00  0.00           H  
HETATM   83  H   UNL     1       0.560   3.669  -0.412  1.00  0.00           H  
HETATM   84  H   UNL     1      -0.080   5.903   2.373  1.00  0.00           H  
HETATM   85  H   UNL     1      -0.301   7.355   1.367  1.00  0.00           H  
HETATM   86  H   UNL     1      -1.551   6.088   1.387  1.00  0.00           H  
HETATM   87  H   UNL     1       2.078   5.467  -0.595  1.00  0.00           H  
HETATM   88  H   UNL     1       1.755   7.004   0.244  1.00  0.00           H  
HETATM   89  H   UNL     1       2.097   5.531   1.183  1.00  0.00           H  
HETATM   90  H   UNL     1      -5.433   1.270   1.588  1.00  0.00           H  
HETATM   91  H   UNL     1      -7.503   0.415  -0.286  1.00  0.00           H  
HETATM   92  H   UNL     1      -7.563   1.730   2.463  1.00  0.00           H  
HETATM   93  H   UNL     1      -7.954   2.469   0.889  1.00  0.00           H  
HETATM   94  H   UNL     1     -10.046   1.893   2.057  1.00  0.00           H  
HETATM   95  H   UNL     1      -9.849   0.824   0.645  1.00  0.00           H  
HETATM   96  H   UNL     1      -9.712  -2.450   3.427  1.00  0.00           H  
HETATM   97  H   UNL     1      -8.177  -4.322   3.004  1.00  0.00           H  
HETATM   98  H   UNL     1      -6.205  -3.997   1.564  1.00  0.00           H  
HETATM   99  H   UNL     1      -5.775  -1.801   0.544  1.00  0.00           H  
CONECT    1    2    4    4    5                                       
CONECT    2    1    3   51   52                                       
CONECT    3    2   53   54   55                                       
CONECT    4    1    1                                                 
CONECT    5    6   56    1                                            
CONECT    6    5    7   18   57                                       
CONECT    7    6    8   58   59                                       
CONECT    8    7    9   17   17                                       
CONECT    9    8   10                                                 
CONECT   10    9   11   11   16                                       
CONECT   11   10   10   12   60                                       
CONECT   12   11   13   14   14                                       
CONECT   13   12                                                      
CONECT   14   12   12   15   61                                       
CONECT   15   14   16   16   62                                       
CONECT   16   10   15   15   17                                       
CONECT   17    8    8   16                                            
CONECT   18    6   19   19   22                                       
CONECT   19   18   18                                                 
CONECT   20   23   23   21   29                                       
CONECT   21   20   22   24   63                                       
CONECT   22   21   64   18                                            
CONECT   23   20   20                                                 
CONECT   24   21   25   28   65                                       
CONECT   25   24   26   66   67                                       
CONECT   26   25   27   68   69                                       
CONECT   27   28   26   70   71                                       
CONECT   28   24   27   72   73                                       
CONECT   29   30   74   20                                            
CONECT   30   29   31   38   75                                       
CONECT   31   30   32   76   77                                       
CONECT   32   31   33   78   79                                       
CONECT   33   32   34   80   81                                       
CONECT   34   33   35   82   83                                       
CONECT   35   34   36   37                                            
CONECT   36   35   84   85   86                                       
CONECT   37   35   87   88   89                                       
CONECT   38   30   39   39   40                                       
CONECT   39   38   38                                                 
CONECT   40   41   90   38                                            
CONECT   41   42   40   50   91                                       
CONECT   42   43   41   92   93                                       
CONECT   43   42   44   94   95                                       
CONECT   44   43   45                                                 
CONECT   45   44   50   50   46                                       
CONECT   46   45   47   47   96                                       
CONECT   47   46   46   48   97                                       
CONECT   48   49   49   47   98                                       
CONECT   49   50   48   48   99                                       
CONECT   50   41   45   45   49                                       
CONECT   51    2                                                      
CONECT   52    2                                                      
CONECT   53    3                                                      
CONECT   54    3                                                      
CONECT   55    3                                                      
CONECT   56    5                                                      
CONECT   57    6                                                      
CONECT   58    7                                                      
CONECT   59    7                                                      
CONECT   60   11                                                      
CONECT   61   14                                                      
CONECT   62   15                                                      
CONECT   63   21                                                      
CONECT   64   22                                                      
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   30                                                      
CONECT   76   31                                                      
CONECT   77   31                                                      
CONECT   78   32                                                      
CONECT   79   32                                                      
CONECT   80   33                                                      
CONECT   81   33                                                      
CONECT   82   34                                                      
CONECT   83   34                                                      
CONECT   84   36                                                      
CONECT   85   36                                                      
CONECT   86   36                                                      
CONECT   87   37                                                      
CONECT   88   37                                                      
CONECT   89   37                                                      
CONECT   90   40                                                      
CONECT   91   41                                                      
CONECT   92   42                                                      
CONECT   93   42                                                      
CONECT   94   43                                                      
CONECT   95   43                                                      
CONECT   96   46                                                      
CONECT   97   47                                                      
CONECT   98   48                                                      
CONECT   99   49                                                      
MASTER        0    0    0    0    0    0    0    0   99    0   99    0
END
