COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.276   1.717  -0.298  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.499   1.225  -0.711  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.690  -1.132   0.250  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.305  -3.425   0.510  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.907  -5.932   1.660  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.281  -5.613   0.456  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.477  -4.353  -0.127  1.00  0.00           C  
HETATM    8  C   UNL     1       0.323  -3.173  -2.207  1.00  0.00           C  
HETATM    9  C   UNL     1       0.624  -6.342  -0.452  1.00  0.00           C  
HETATM   10  C   UNL     1       7.934   1.502  -2.082  1.00  0.00           C  
HETATM   11  C   UNL     1       7.328   1.918  -0.766  1.00  0.00           C  
HETATM   12  C   UNL     1       8.143   2.360   0.261  1.00  0.00           C  
HETATM   13  C   UNL     1       7.590   2.742   1.470  1.00  0.00           C  
HETATM   14  C   UNL     1       8.480   3.224   2.587  1.00  0.00           C  
HETATM   15  C   UNL     1       6.222   2.684   1.653  1.00  0.00           C  
HETATM   16  C   UNL     1       5.403   2.241   0.625  1.00  0.00           C  
HETATM   17  C   UNL     1       1.795   1.721   0.089  1.00  0.00           C  
HETATM   18  C   UNL     1       0.959   1.222  -1.091  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.178   0.211  -0.139  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.915  -3.756   1.708  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.716  -5.004   2.279  1.00  0.00           C  
HETATM   22  C   UNL     1       0.906  -5.491  -1.481  1.00  0.00           C  
HETATM   23  C   UNL     1       1.126  -7.710  -0.280  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.613  -1.947  -0.983  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.875  -1.408  -0.311  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.503  -0.290   0.670  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.655   1.870  -0.383  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.410   2.300  -0.882  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.281   3.590  -1.415  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.358   4.427  -1.451  1.00  0.00           C  
HETATM   31  C   UNL     1      -3.591   4.017  -0.962  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.750   2.745  -0.427  1.00  0.00           C  
HETATM   33  C   UNL     1      -5.071   2.315   0.096  1.00  0.00           C  
HETATM   34  C   UNL     1      -5.519   2.467   1.376  1.00  0.00           C  
HETATM   35  C   UNL     1      -4.764   3.103   2.514  1.00  0.00           C  
HETATM   36  C   UNL     1      -7.616   1.898   2.626  1.00  0.00           C  
HETATM   37  C   UNL     1      -6.091   1.681  -0.640  1.00  0.00           C  
HETATM   38  C   UNL     1      -6.033   1.319  -2.101  1.00  0.00           C  
HETATM   39  C   UNL     1       5.959   1.863  -0.588  1.00  0.00           C  
HETATM   40  N   UNL     1      -1.512  -2.164  -0.058  1.00  0.00           N  
HETATM   41  N   UNL     1       0.257  -4.318  -1.296  1.00  0.00           N  
HETATM   42  N   UNL     1      -2.496   0.586   0.068  1.00  0.00           N  
HETATM   43  N   UNL     1      -6.762   1.946   1.437  1.00  0.00           N  
HETATM   44  N   UNL     1      -7.096   1.462   0.166  1.00  0.00           N  
HETATM   45  O   UNL     1       4.057   2.183   0.804  1.00  0.00           O  
HETATM   46  O   UNL     1       1.953  -8.245  -1.201  1.00  0.00           O  
HETATM   47  O   UNL     1       0.796  -8.361   0.692  1.00  0.00           O  
HETATM   48  O   UNL     1       0.379  -1.297   0.808  1.00  0.00           O  
HETATM   49 CL   UNL     1       9.863   2.435   0.032  1.00  0.00          Cl  
HETATM   50 CL   UNL     1      -4.944   5.103  -1.018  1.00  0.00          Cl  
HETATM   51  H   UNL     1       3.581   0.703  -0.557  1.00  0.00           H  
HETATM   52  H   UNL     1       3.429   2.372  -1.155  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.755  -6.903   2.109  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.469  -3.255  -2.951  1.00  0.00           H  
HETATM   55  H   UNL     1       0.196  -2.250  -1.641  1.00  0.00           H  
HETATM   56  H   UNL     1       1.291  -3.162  -2.707  1.00  0.00           H  
HETATM   57  H   UNL     1       7.996   2.367  -2.743  1.00  0.00           H  
HETATM   58  H   UNL     1       8.933   1.102  -1.912  1.00  0.00           H  
HETATM   59  H   UNL     1       7.310   0.737  -2.544  1.00  0.00           H  
HETATM   60  H   UNL     1       8.606   4.304   2.511  1.00  0.00           H  
HETATM   61  H   UNL     1       8.024   2.978   3.546  1.00  0.00           H  
HETATM   62  H   UNL     1       9.453   2.738   2.511  1.00  0.00           H  
HETATM   63  H   UNL     1       5.790   2.982   2.597  1.00  0.00           H  
HETATM   64  H   UNL     1       1.642   1.065   0.946  1.00  0.00           H  
HETATM   65  H   UNL     1       1.490   2.734   0.347  1.00  0.00           H  
HETATM   66  H   UNL     1       1.264   0.208  -1.350  1.00  0.00           H  
HETATM   67  H   UNL     1       1.112   1.877  -1.949  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.551  -3.037   2.202  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.201  -5.252   3.211  1.00  0.00           H  
HETATM   70  H   UNL     1       1.548  -5.720  -2.319  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.853  -2.893  -1.469  1.00  0.00           H  
HETATM   72  H   UNL     1      -2.292  -1.236  -1.745  1.00  0.00           H  
HETATM   73  H   UNL     1      -4.550  -1.014  -1.071  1.00  0.00           H  
HETATM   74  H   UNL     1      -4.370  -2.215   0.230  1.00  0.00           H  
HETATM   75  H   UNL     1      -4.392   0.293   0.910  1.00  0.00           H  
HETATM   76  H   UNL     1      -3.101  -0.728   1.584  1.00  0.00           H  
HETATM   77  H   UNL     1      -0.327   3.922  -1.798  1.00  0.00           H  
HETATM   78  H   UNL     1      -2.250   5.419  -1.864  1.00  0.00           H  
HETATM   79  H   UNL     1      -4.978   4.172   2.541  1.00  0.00           H  
HETATM   80  H   UNL     1      -5.073   2.647   3.455  1.00  0.00           H  
HETATM   81  H   UNL     1      -3.694   2.951   2.371  1.00  0.00           H  
HETATM   82  H   UNL     1      -8.224   2.802   2.673  1.00  0.00           H  
HETATM   83  H   UNL     1      -8.267   1.025   2.572  1.00  0.00           H  
HETATM   84  H   UNL     1      -6.994   1.833   3.518  1.00  0.00           H  
HETATM   85  H   UNL     1      -5.624   0.314  -2.210  1.00  0.00           H  
HETATM   86  H   UNL     1      -7.037   1.351  -2.523  1.00  0.00           H  
HETATM   87  H   UNL     1      -5.395   2.030  -2.627  1.00  0.00           H  
HETATM   88  H   UNL     1       5.323   1.522  -1.392  1.00  0.00           H  
HETATM   89  H   UNL     1       2.257  -9.150  -1.045  1.00  0.00           H  
CONECT    1   45   17   51   52                                       
CONECT    2   18   28   19   19                                       
CONECT    3   48   48   19   40                                       
CONECT    4    7   40   20   20                                       
CONECT    5    6   21   21   53                                       
CONECT    6    9    7    7    5                                       
CONECT    7   41    6    6    4                                       
CONECT    8   41   54   55   56                                       
CONECT    9   22   22   23    6                                       
CONECT   10   11   57   58   59                                       
CONECT   11   10   39   39   12                                       
CONECT   12   11   49   13   13                                       
CONECT   13   12   12   15   14                                       
CONECT   14   13   60   61   62                                       
CONECT   15   16   16   13   63                                       
CONECT   16   39   45   15   15                                       
CONECT   17   18    1   64   65                                       
CONECT   18   17    2   66   67                                       
CONECT   19    2    2    3   42                                       
CONECT   20    4    4   21   68                                       
CONECT   21    5    5   20   69                                       
CONECT   22   41    9    9   70                                       
CONECT   23   47   47    9   46                                       
CONECT   24   40   25   71   72                                       
CONECT   25   24   26   73   74                                       
CONECT   26   42   25   75   76                                       
CONECT   27   28   42   32   32                                       
CONECT   28    2   29   29   27                                       
CONECT   29   28   28   30   77                                       
CONECT   30   29   31   31   78                                       
CONECT   31   30   30   32   50                                       
CONECT   32   27   27   31   33                                       
CONECT   33   32   34   34   37                                       
CONECT   34   35   33   33   43                                       
CONECT   35   34   79   80   81                                       
CONECT   36   43   82   83   84                                       
CONECT   37   33   38   44   44                                       
CONECT   38   37   85   86   87                                       
CONECT   39   11   11   16   88                                       
CONECT   40    3    4   24                                            
CONECT   41   22    8    7                                            
CONECT   42   19   27   26                                            
CONECT   43   34   44   36                                            
CONECT   44   37   37   43                                            
CONECT   45   16    1                                                 
CONECT   46   23   89                                                 
CONECT   47   23   23                                                 
CONECT   48    3    3                                                 
CONECT   49   12                                                      
CONECT   50   31                                                      
CONECT   51    1                                                      
CONECT   52    1                                                      
CONECT   53    5                                                      
CONECT   54    8                                                      
CONECT   55    8                                                      
CONECT   56    8                                                      
CONECT   57   10                                                      
CONECT   58   10                                                      
CONECT   59   10                                                      
CONECT   60   14                                                      
CONECT   61   14                                                      
CONECT   62   14                                                      
CONECT   63   15                                                      
CONECT   64   17                                                      
CONECT   65   17                                                      
CONECT   66   18                                                      
CONECT   67   18                                                      
CONECT   68   20                                                      
CONECT   69   21                                                      
CONECT   70   22                                                      
CONECT   71   24                                                      
CONECT   72   24                                                      
CONECT   73   25                                                      
CONECT   74   25                                                      
CONECT   75   26                                                      
CONECT   76   26                                                      
CONECT   77   29                                                      
CONECT   78   30                                                      
CONECT   79   35                                                      
CONECT   80   35                                                      
CONECT   81   35                                                      
CONECT   82   36                                                      
CONECT   83   36                                                      
CONECT   84   36                                                      
CONECT   85   38                                                      
CONECT   86   38                                                      
CONECT   87   38                                                      
CONECT   88   39                                                      
CONECT   89   46                                                      
MASTER        0    0    0    0    0    0    0    0   89    0   89    0
END
