COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.032  -3.816  -0.083  1.00  0.00           C  
HETATM    2  C   UNL     1      -6.032  -4.514  -2.041  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.165  -5.805  -1.558  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.419  -2.722   0.707  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.710  -6.104  -0.283  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.133  -5.091   0.468  1.00  0.00           C  
HETATM    7  O   UNL     1      -4.002  -2.941   1.827  1.00  0.00           O  
HETATM    8  N   UNL     1      -5.486  -3.570  -1.305  1.00  0.00           N  
HETATM    9  N   UNL     1      -4.323  -1.484   0.182  1.00  0.00           N  
HETATM   10  C   UNL     1      -3.717  -0.403   0.962  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.774   0.224   1.874  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.999   0.610   1.043  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.184  -0.785   2.948  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.173   0.647   0.028  1.00  0.00           C  
HETATM   15  O   UNL     1      -3.463   0.620  -1.150  1.00  0.00           O  
HETATM   16  N   UNL     1      -2.364   1.616   0.500  1.00  0.00           N  
HETATM   17  C   UNL     1      -1.713   2.544  -0.428  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.435   3.893  -0.390  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.820   3.737  -0.962  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.012   3.784  -2.330  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.900   3.555  -0.119  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.282   3.635  -2.855  1.00  0.00           C  
HETATM   23  C   UNL     1      -6.171   3.411  -0.643  1.00  0.00           C  
HETATM   24  C   UNL     1      -6.362   3.451  -2.012  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.252   2.736  -0.016  1.00  0.00           C  
HETATM   26  O   UNL     1      -0.196   3.269   1.308  1.00  0.00           O  
HETATM   27  C   UNL     1       0.470   1.387  -0.054  1.00  0.00           C  
HETATM   28  C   UNL     1       1.935   1.593   0.231  1.00  0.00           C  
HETATM   29  O   UNL     1       2.360   2.709   0.444  1.00  0.00           O  
HETATM   30  C   UNL     1       4.991  -0.387  -0.084  1.00  0.00           C  
HETATM   31  N   UNL     1       2.773   0.538   0.250  1.00  0.00           N  
HETATM   32  O   UNL     1       4.423  -1.270  -0.692  1.00  0.00           O  
HETATM   33 CL   UNL     1       3.474   2.105   2.772  1.00  0.00          Cl  
HETATM   34  C   UNL     1       4.197   0.738   0.528  1.00  0.00           C  
HETATM   35  C   UNL     1       4.424   0.759   2.040  1.00  0.00           C  
HETATM   36  N   UNL     1       6.332  -0.413   0.044  1.00  0.00           N  
HETATM   37  C   UNL     1       7.104  -1.507  -0.550  1.00  0.00           C  
HETATM   38  C   UNL     1       7.135  -2.675   0.402  1.00  0.00           C  
HETATM   39  O   UNL     1       6.569  -2.601   1.471  1.00  0.00           O  
HETATM   40  C   UNL     1       8.533  -1.034  -0.823  1.00  0.00           C  
HETATM   41  C   UNL     1       8.511   0.069  -1.884  1.00  0.00           C  
HETATM   42  C   UNL     1       9.923   0.629  -2.067  1.00  0.00           C  
HETATM   43  C   UNL     1       8.016  -0.509  -3.211  1.00  0.00           C  
HETATM   44  N   UNL     1       7.793  -3.802   0.064  1.00  0.00           N  
HETATM   45  H   UNL     1      -6.386  -4.277  -3.033  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.619  -6.572  -2.168  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.802  -7.103   0.116  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.767  -5.289   1.464  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.656  -1.309  -0.712  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.905  -0.804   1.570  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.362   1.114   2.349  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.494  -0.292   0.685  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.690   1.184   1.660  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.685   1.214   0.191  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.311  -1.060   3.540  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.937  -0.338   3.597  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.596  -1.675   2.473  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.213   1.699   1.455  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.756   2.137  -1.438  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.504   4.239   0.641  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.877   4.620  -0.981  1.00  0.00           H  
HETATM   62  H   UNL     1      -3.169   3.927  -2.990  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.750   3.523   0.951  1.00  0.00           H  
HETATM   64  H   UNL     1      -5.431   3.666  -3.925  1.00  0.00           H  
HETATM   65  H   UNL     1      -7.014   3.268   0.016  1.00  0.00           H  
HETATM   66  H   UNL     1      -7.354   3.339  -2.422  1.00  0.00           H  
HETATM   67  H   UNL     1       0.232   3.426  -0.707  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.609   2.706   1.977  1.00  0.00           H  
HETATM   69  H   UNL     1       0.351   0.939  -1.040  1.00  0.00           H  
HETATM   70  H   UNL     1       0.042   0.725   0.700  1.00  0.00           H  
HETATM   71  H   UNL     1       2.432  -0.355   0.080  1.00  0.00           H  
HETATM   72  H   UNL     1       4.521   1.686   0.098  1.00  0.00           H  
HETATM   73  H   UNL     1       4.100  -0.189   2.470  1.00  0.00           H  
HETATM   74  H   UNL     1       5.484   0.908   2.247  1.00  0.00           H  
HETATM   75  H   UNL     1       6.787   0.293   0.530  1.00  0.00           H  
HETATM   76  H   UNL     1       6.638  -1.814  -1.487  1.00  0.00           H  
HETATM   77  H   UNL     1       9.131  -1.871  -1.183  1.00  0.00           H  
HETATM   78  H   UNL     1       8.969  -0.644   0.097  1.00  0.00           H  
HETATM   79  H   UNL     1       7.843   0.868  -1.563  1.00  0.00           H  
HETATM   80  H   UNL     1       9.908   1.414  -2.822  1.00  0.00           H  
HETATM   81  H   UNL     1      10.276   1.041  -1.121  1.00  0.00           H  
HETATM   82  H   UNL     1      10.592  -0.170  -2.387  1.00  0.00           H  
HETATM   83  H   UNL     1       8.685  -1.308  -3.531  1.00  0.00           H  
HETATM   84  H   UNL     1       7.010  -0.908  -3.080  1.00  0.00           H  
HETATM   85  H   UNL     1       8.000   0.276  -3.966  1.00  0.00           H  
HETATM   86  H   UNL     1       8.246  -3.862  -0.791  1.00  0.00           H  
HETATM   87  H   UNL     1       7.813  -4.554   0.677  1.00  0.00           H  
CONECT    1    4    8    8    6                                       
CONECT    2    3    3    8   45                                       
CONECT    3    5    2    2   46                                       
CONECT    4    9    7    7    1                                       
CONECT    5    6    6    3   47                                       
CONECT    6    1    5    5   48                                       
CONECT    7    4    4                                                 
CONECT    8    1    1    2                                            
CONECT    9   10    4   49                                            
CONECT   10   14   11    9   50                                       
CONECT   11   10   12   13   51                                       
CONECT   12   11   52   53   54                                       
CONECT   13   11   55   56   57                                       
CONECT   14   16   15   15   10                                       
CONECT   15   14   14                                                 
CONECT   16   17   14   58                                            
CONECT   17   25   18   16   59                                       
CONECT   18   17   19   60   61                                       
CONECT   19   18   20   20   21                                       
CONECT   20   19   19   22   62                                       
CONECT   21   19   23   23   63                                       
CONECT   22   24   24   20   64                                       
CONECT   23   21   21   24   65                                       
CONECT   24   23   22   22   66                                       
CONECT   25   27   17   26   67                                       
CONECT   26   25   68                                                 
CONECT   27   28   25   69   70                                       
CONECT   28   31   29   29   27                                       
CONECT   29   28   28                                                 
CONECT   30   36   32   32   34                                       
CONECT   31   34   28   71                                            
CONECT   32   30   30                                                 
CONECT   33   35                                                      
CONECT   34   30   31   35   72                                       
CONECT   35   34   33   73   74                                       
CONECT   36   37   30   75                                            
CONECT   37   40   38   36   76                                       
CONECT   38   37   44   39   39                                       
CONECT   39   38   38                                                 
CONECT   40   41   37   77   78                                       
CONECT   41   42   40   43   79                                       
CONECT   42   41   80   81   82                                       
CONECT   43   41   83   84   85                                       
CONECT   44   38   86   87                                            
CONECT   45    2                                                      
CONECT   46    3                                                      
CONECT   47    5                                                      
CONECT   48    6                                                      
CONECT   49    9                                                      
CONECT   50   10                                                      
CONECT   51   11                                                      
CONECT   52   12                                                      
CONECT   53   12                                                      
CONECT   54   12                                                      
CONECT   55   13                                                      
CONECT   56   13                                                      
CONECT   57   13                                                      
CONECT   58   16                                                      
CONECT   59   17                                                      
CONECT   60   18                                                      
CONECT   61   18                                                      
CONECT   62   20                                                      
CONECT   63   21                                                      
CONECT   64   22                                                      
CONECT   65   23                                                      
CONECT   66   24                                                      
CONECT   67   25                                                      
CONECT   68   26                                                      
CONECT   69   27                                                      
CONECT   70   27                                                      
CONECT   71   31                                                      
CONECT   72   34                                                      
CONECT   73   35                                                      
CONECT   74   35                                                      
CONECT   75   36                                                      
CONECT   76   37                                                      
CONECT   77   40                                                      
CONECT   78   40                                                      
CONECT   79   41                                                      
CONECT   80   42                                                      
CONECT   81   42                                                      
CONECT   82   42                                                      
CONECT   83   43                                                      
CONECT   84   43                                                      
CONECT   85   43                                                      
CONECT   86   44                                                      
CONECT   87   44                                                      
MASTER        0    0    0    0    0    0    0    0   87    0   87    0
END
