COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      12.249  -1.281  -0.655  1.00  0.00           C  
HETATM    2  C   UNL     1      10.924  -0.949  -1.291  1.00  0.00           C  
HETATM    3  C   UNL     1       8.533  -0.503  -1.143  1.00  0.00           C  
HETATM    4  C   UNL     1       7.455  -0.421  -0.060  1.00  0.00           C  
HETATM    5  C   UNL     1       6.134   0.038  -0.687  1.00  0.00           C  
HETATM    6  C   UNL     1       5.042   0.041   0.385  1.00  0.00           C  
HETATM    7  C   UNL     1       6.122  -1.732   1.595  1.00  0.00           C  
HETATM    8  C   UNL     1       7.256  -1.803   0.570  1.00  0.00           C  
HETATM    9  C   UNL     1       3.780  -1.321   1.901  1.00  0.00           C  
HETATM   10  C   UNL     1       2.486  -1.011   1.195  1.00  0.00           C  
HETATM   11  C   UNL     1       1.710  -2.027   0.663  1.00  0.00           C  
HETATM   12  C   UNL     1       0.521  -1.708   0.017  1.00  0.00           C  
HETATM   13  C   UNL     1       0.843   0.547   0.411  1.00  0.00           C  
HETATM   14  C   UNL     1       2.043   0.296   1.070  1.00  0.00           C  
HETATM   15  C   UNL     1       0.360   1.942   0.270  1.00  0.00           C  
HETATM   16  C   UNL     1       1.204   3.009   0.573  1.00  0.00           C  
HETATM   17  C   UNL     1       0.749   4.306   0.440  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.543   4.548   0.008  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.386   3.492  -0.295  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.938   2.191  -0.171  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.584  -2.662  -0.272  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.431  -3.580  -0.887  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.787  -3.507  -0.620  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.254  -2.526   0.248  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.120  -1.716   0.586  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.899  -1.345   1.459  1.00  0.00           C  
HETATM   27  C   UNL     1      -7.395  -1.326   1.781  1.00  0.00           C  
HETATM   28  C   UNL     1      -7.767   0.118  -0.098  1.00  0.00           C  
HETATM   29  C   UNL     1      -8.651   0.368  -1.321  1.00  0.00           C  
HETATM   30  C   UNL     1     -10.916   0.805  -1.973  1.00  0.00           C  
HETATM   31  C   UNL     1      -7.888  -2.262  -0.373  1.00  0.00           C  
HETATM   32  C   UNL     1      -6.396  -2.289  -0.713  1.00  0.00           C  
HETATM   33  N   UNL     1       9.821  -0.826  -0.525  1.00  0.00           N  
HETATM   34  N   UNL     1       4.882  -1.313   0.930  1.00  0.00           N1+
HETATM   35  N   UNL     1       0.127  -0.451  -0.092  1.00  0.00           N  
HETATM   36  N   UNL     1      -3.419  -1.671   0.814  1.00  0.00           N  
HETATM   37  N   UNL     1      -5.617  -2.443   0.523  1.00  0.00           N  
HETATM   38  N   UNL     1      -8.161  -1.145   0.541  1.00  0.00           N1+
HETATM   39  O   UNL     1      10.849  -0.793  -2.491  1.00  0.00           O  
HETATM   40  O   UNL     1      -0.245  -2.698  -0.507  1.00  0.00           O  
HETATM   41  O   UNL     1     -10.003   0.562  -0.901  1.00  0.00           O  
HETATM   42 CL   UNL     1       1.800   5.636   0.818  1.00  0.00          Cl  
HETATM   43 CL   UNL     1      -3.005   3.804  -0.837  1.00  0.00          Cl  
HETATM   44  H   UNL     1      12.374  -2.364  -0.620  1.00  0.00           H  
HETATM   45  H   UNL     1      13.054  -0.842  -1.243  1.00  0.00           H  
HETATM   46  H   UNL     1      12.277  -0.879   0.358  1.00  0.00           H  
HETATM   47  H   UNL     1       8.269  -1.280  -1.860  1.00  0.00           H  
HETATM   48  H   UNL     1       8.606   0.456  -1.656  1.00  0.00           H  
HETATM   49  H   UNL     1       7.761   0.290   0.706  1.00  0.00           H  
HETATM   50  H   UNL     1       6.253   1.044  -1.089  1.00  0.00           H  
HETATM   51  H   UNL     1       5.856  -0.645  -1.490  1.00  0.00           H  
HETATM   52  H   UNL     1       5.322   0.724   1.187  1.00  0.00           H  
HETATM   53  H   UNL     1       4.101   0.367  -0.058  1.00  0.00           H  
HETATM   54  H   UNL     1       5.978  -2.713   2.046  1.00  0.00           H  
HETATM   55  H   UNL     1       6.379  -1.010   2.371  1.00  0.00           H  
HETATM   56  H   UNL     1       7.000  -2.524  -0.206  1.00  0.00           H  
HETATM   57  H   UNL     1       8.176  -2.112   1.066  1.00  0.00           H  
HETATM   58  H   UNL     1       3.966  -0.568   2.668  1.00  0.00           H  
HETATM   59  H   UNL     1       3.714  -2.304   2.367  1.00  0.00           H  
HETATM   60  H   UNL     1       2.025  -3.056   0.748  1.00  0.00           H  
HETATM   61  H   UNL     1       2.623   1.111   1.478  1.00  0.00           H  
HETATM   62  H   UNL     1       2.212   2.821   0.912  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.896   5.564  -0.094  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.595   1.368  -0.412  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.040  -4.331  -1.557  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.473  -4.202  -1.080  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.468  -1.004   1.070  1.00  0.00           H  
HETATM   68  H   UNL     1      -5.613  -0.397   1.003  1.00  0.00           H  
HETATM   69  H   UNL     1      -5.331  -1.494   2.377  1.00  0.00           H  
HETATM   70  H   UNL     1      -7.678  -2.269   2.249  1.00  0.00           H  
HETATM   71  H   UNL     1      -7.609  -0.503   2.464  1.00  0.00           H  
HETATM   72  H   UNL     1      -6.724   0.058  -0.409  1.00  0.00           H  
HETATM   73  H   UNL     1      -7.888   0.937   0.611  1.00  0.00           H  
HETATM   74  H   UNL     1      -8.302   1.257  -1.846  1.00  0.00           H  
HETATM   75  H   UNL     1      -8.599  -0.492  -1.989  1.00  0.00           H  
HETATM   76  H   UNL     1     -11.920   0.942  -1.571  1.00  0.00           H  
HETATM   77  H   UNL     1     -10.614   1.704  -2.511  1.00  0.00           H  
HETATM   78  H   UNL     1     -10.911  -0.046  -2.654  1.00  0.00           H  
HETATM   79  H   UNL     1      -8.467  -2.133  -1.287  1.00  0.00           H  
HETATM   80  H   UNL     1      -8.168  -3.200   0.106  1.00  0.00           H  
HETATM   81  H   UNL     1      -6.190  -3.127  -1.380  1.00  0.00           H  
HETATM   82  H   UNL     1      -6.118  -1.357  -1.204  1.00  0.00           H  
HETATM   83  H   UNL     1       9.881  -0.951   0.435  1.00  0.00           H  
HETATM   84  H   UNL     1       4.672  -1.953   0.179  1.00  0.00           H  
HETATM   85  H   UNL     1      -9.147  -1.120   0.756  1.00  0.00           H  
CONECT    1    2   44   45   46                                       
CONECT    2   33   39   39    1                                       
CONECT    3    4   33   47   48                                       
CONECT    4    8    3    5   49                                       
CONECT    5    4    6   50   51                                       
CONECT    6   34    5   52   53                                       
CONECT    7    8   34   54   55                                       
CONECT    8    7    4   56   57                                       
CONECT    9   10   34   58   59                                       
CONECT   10   11   11   14    9                                       
CONECT   11   12   10   10   60                                       
CONECT   12   40   35   35   11                                       
CONECT   13   35   15   14   14                                       
CONECT   14   13   13   10   61                                       
CONECT   15   16   13   20   20                                       
CONECT   16   17   17   15   62                                       
CONECT   17   42   16   16   18                                       
CONECT   18   17   19   19   63                                       
CONECT   19   18   18   20   43                                       
CONECT   20   15   15   19   64                                       
CONECT   21   22   22   25   40                                       
CONECT   22   23   21   21   65                                       
CONECT   23   24   24   22   66                                       
CONECT   24   37   23   23   36                                       
CONECT   25   36   36   21   67                                       
CONECT   26   27   37   68   69                                       
CONECT   27   38   26   70   71                                       
CONECT   28   29   38   72   73                                       
CONECT   29   41   28   74   75                                       
CONECT   30   41   76   77   78                                       
CONECT   31   38   32   79   80                                       
CONECT   32   31   37   81   82                                       
CONECT   33    3    2   83                                            
CONECT   34    7    9    6   84                                       
CONECT   35   12   12   13                                            
CONECT   36   24   25   25                                            
CONECT   37   26   32   24                                            
CONECT   38   28   27   31   85                                       
CONECT   39    2    2                                                 
CONECT   40   21   12                                                 
CONECT   41   30   29                                                 
CONECT   42   17                                                      
CONECT   43   19                                                      
CONECT   44    1                                                      
CONECT   45    1                                                      
CONECT   46    1                                                      
CONECT   47    3                                                      
CONECT   48    3                                                      
CONECT   49    4                                                      
CONECT   50    5                                                      
CONECT   51    5                                                      
CONECT   52    6                                                      
CONECT   53    6                                                      
CONECT   54    7                                                      
CONECT   55    7                                                      
CONECT   56    8                                                      
CONECT   57    8                                                      
CONECT   58    9                                                      
CONECT   59    9                                                      
CONECT   60   11                                                      
CONECT   61   14                                                      
CONECT   62   16                                                      
CONECT   63   18                                                      
CONECT   64   20                                                      
CONECT   65   22                                                      
CONECT   66   23                                                      
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   30                                                      
CONECT   79   31                                                      
CONECT   80   31                                                      
CONECT   81   32                                                      
CONECT   82   32                                                      
CONECT   83   33                                                      
CONECT   84   34                                                      
CONECT   85   38                                                      
MASTER        0    0    0    0    0    0    0    0   85    0   85    0
END
