COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1     -10.693  -5.033  -2.957  1.00  0.00           C  
HETATM    2  C   UNL     1     -11.653  -4.045  -2.292  1.00  0.00           C  
HETATM    3  C   UNL     1     -10.956  -3.362  -1.144  1.00  0.00           C  
HETATM    4  C   UNL     1     -10.903  -2.054  -1.096  1.00  0.00           C  
HETATM    5  C   UNL     1     -10.205  -1.370   0.052  1.00  0.00           C  
HETATM    6  C   UNL     1      -9.137  -0.421  -0.493  1.00  0.00           C  
HETATM    7  C   UNL     1      -8.345   0.179   0.670  1.00  0.00           C  
HETATM    8  C   UNL     1      -7.361   1.222   0.135  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.497   1.723   1.263  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.440   2.763   0.997  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.252   2.113   0.286  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.128   3.139   0.127  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.958   2.498  -0.574  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.766   2.434   0.034  1.00  0.00           C  
HETATM   15  C   UNL     1       0.333   1.832  -0.624  1.00  0.00           C  
HETATM   16  C   UNL     1       1.543   1.768  -0.007  1.00  0.00           C  
HETATM   17  C   UNL     1       2.634   1.170  -0.660  1.00  0.00           C  
HETATM   18  C   UNL     1       3.849   1.105  -0.041  1.00  0.00           C  
HETATM   19  C   UNL     1       4.937   0.509  -0.693  1.00  0.00           C  
HETATM   20  C   UNL     1       6.162   0.444  -0.068  1.00  0.00           C  
HETATM   21  C   UNL     1       7.250  -0.152  -0.720  1.00  0.00           C  
HETATM   22  C   UNL     1       8.464  -0.217  -0.101  1.00  0.00           C  
HETATM   23  C   UNL     1       9.558  -0.816  -0.756  1.00  0.00           C  
HETATM   24  O   UNL     1      10.760  -0.880  -0.143  1.00  0.00           O  
HETATM   25  C   UNL     1      11.825  -1.501  -0.866  1.00  0.00           C  
HETATM   26  C   UNL     1      12.799  -2.151   0.119  1.00  0.00           C  
HETATM   27  C   UNL     1      13.371  -1.080   1.051  1.00  0.00           C  
HETATM   28  C   UNL     1      14.331  -1.720   2.021  1.00  0.00           C  
HETATM   29  O   UNL     1      -9.578  -2.368   0.901  1.00  0.00           O  
HETATM   30 CL   UNL     1      -9.929   0.903  -1.427  1.00  0.00          Cl  
HETATM   31  O   UNL     1      -9.246   0.802   1.588  1.00  0.00           O  
HETATM   32  O   UNL     1      -5.003   3.326   2.236  1.00  0.00           O  
HETATM   33  O   UNL     1      -3.782   1.007   1.059  1.00  0.00           O  
HETATM   34  C   UNL     1      -3.632   4.323  -0.700  1.00  0.00           C  
HETATM   35 CL   UNL     1      -2.155   1.841  -2.169  1.00  0.00          Cl  
HETATM   36  C   UNL     1       4.020   1.675   1.344  1.00  0.00           C  
HETATM   37  O   UNL     1       9.420  -1.276  -1.875  1.00  0.00           O  
HETATM   38  C   UNL     1      12.563  -0.447  -1.693  1.00  0.00           C  
HETATM   39  C   UNL     1      13.135   0.623  -0.762  1.00  0.00           C  
HETATM   40  C   UNL     1      14.109  -0.026   0.223  1.00  0.00           C  
HETATM   41  O   UNL     1      11.653   0.160  -2.613  1.00  0.00           O  
HETATM   42  C   UNL     1     -10.318  -2.861   1.912  1.00  0.00           C  
HETATM   43  N   UNL     1      -9.796  -3.790   2.737  1.00  0.00           N  
HETATM   44  O   UNL     1     -11.455  -2.470   2.080  1.00  0.00           O  
HETATM   45  O   UNL     1      -6.653   1.292   2.380  1.00  0.00           O  
HETATM   46  O   UNL     1      14.536  -2.910   1.972  1.00  0.00           O  
HETATM   47  O   UNL     1      14.958  -0.968   2.939  1.00  0.00           O  
HETATM   48  H   UNL     1      -9.821  -4.496  -3.330  1.00  0.00           H  
HETATM   49  H   UNL     1     -10.376  -5.779  -2.228  1.00  0.00           H  
HETATM   50  H   UNL     1     -11.197  -5.528  -3.787  1.00  0.00           H  
HETATM   51  H   UNL     1     -11.970  -3.300  -3.021  1.00  0.00           H  
HETATM   52  H   UNL     1     -12.526  -4.582  -1.919  1.00  0.00           H  
HETATM   53  H   UNL     1     -10.500  -3.950  -0.361  1.00  0.00           H  
HETATM   54  H   UNL     1     -11.358  -1.465  -1.878  1.00  0.00           H  
HETATM   55  H   UNL     1     -10.932  -0.803   0.633  1.00  0.00           H  
HETATM   56  H   UNL     1      -8.460  -0.971  -1.147  1.00  0.00           H  
HETATM   57  H   UNL     1      -7.795  -0.611   1.181  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.732   0.767  -0.631  1.00  0.00           H  
HETATM   59  H   UNL     1      -7.915   2.055  -0.298  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.854   3.550   0.367  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.565   1.762  -0.698  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.815   3.489   1.110  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.644   2.843   1.026  1.00  0.00           H  
HETATM   64  H   UNL     1       0.211   1.424  -1.617  1.00  0.00           H  
HETATM   65  H   UNL     1       1.666   2.176   0.985  1.00  0.00           H  
HETATM   66  H   UNL     1       2.512   0.762  -1.653  1.00  0.00           H  
HETATM   67  H   UNL     1       4.815   0.101  -1.685  1.00  0.00           H  
HETATM   68  H   UNL     1       6.284   0.852   0.924  1.00  0.00           H  
HETATM   69  H   UNL     1       7.128  -0.561  -1.713  1.00  0.00           H  
HETATM   70  H   UNL     1       8.587   0.191   0.891  1.00  0.00           H  
HETATM   71  H   UNL     1      11.417  -2.264  -1.530  1.00  0.00           H  
HETATM   72  H   UNL     1      12.273  -2.902   0.708  1.00  0.00           H  
HETATM   73  H   UNL     1      13.611  -2.624  -0.432  1.00  0.00           H  
HETATM   74  H   UNL     1      12.559  -0.606   1.602  1.00  0.00           H  
HETATM   75  H   UNL     1      -9.770   1.517   1.201  1.00  0.00           H  
HETATM   76  H   UNL     1      -4.622   2.682   2.848  1.00  0.00           H  
HETATM   77  H   UNL     1      -3.486   1.245   1.948  1.00  0.00           H  
HETATM   78  H   UNL     1      -4.478   4.787  -0.193  1.00  0.00           H  
HETATM   79  H   UNL     1      -2.831   5.054  -0.813  1.00  0.00           H  
HETATM   80  H   UNL     1      -3.945   3.972  -1.684  1.00  0.00           H  
HETATM   81  H   UNL     1       3.806   0.904   2.083  1.00  0.00           H  
HETATM   82  H   UNL     1       5.045   2.024   1.469  1.00  0.00           H  
HETATM   83  H   UNL     1       3.332   2.510   1.480  1.00  0.00           H  
HETATM   84  H   UNL     1      13.375  -0.921  -2.245  1.00  0.00           H  
HETATM   85  H   UNL     1      13.661   1.375  -1.351  1.00  0.00           H  
HETATM   86  H   UNL     1      12.323   1.097  -0.210  1.00  0.00           H  
HETATM   87  H   UNL     1      14.517   0.737   0.887  1.00  0.00           H  
HETATM   88  H   UNL     1      14.922  -0.500  -0.328  1.00  0.00           H  
HETATM   89  H   UNL     1      12.053   0.840  -3.172  1.00  0.00           H  
HETATM   90  H   UNL     1      -8.887  -4.103   2.603  1.00  0.00           H  
HETATM   91  H   UNL     1     -10.328  -4.146   3.466  1.00  0.00           H  
HETATM   92  H   UNL     1      15.564  -1.423   3.539  1.00  0.00           H  
CONECT    1    2   48   49   50                                       
CONECT    2    1    3   51   52                                       
CONECT    3    2    4    4   53                                       
CONECT    4    3    3    5   54                                       
CONECT    5    4    6   29   55                                       
CONECT    6    5    7   30   56                                       
CONECT    7    6    8   31   57                                       
CONECT    8    7    9   58   59                                       
CONECT    9    8   10   45   45                                       
CONECT   10    9   11   32   60                                       
CONECT   11   10   12   33   61                                       
CONECT   12   11   13   34   62                                       
CONECT   13   12   14   14   35                                       
CONECT   14   13   13   15   63                                       
CONECT   15   14   16   16   64                                       
CONECT   16   15   15   17   65                                       
CONECT   17   16   18   18   66                                       
CONECT   18   17   17   19   36                                       
CONECT   19   18   20   20   67                                       
CONECT   20   19   19   21   68                                       
CONECT   21   20   22   22   69                                       
CONECT   22   21   21   23   70                                       
CONECT   23   22   24   37   37                                       
CONECT   24   23   25                                                 
CONECT   25   24   26   38   71                                       
CONECT   26   25   27   72   73                                       
CONECT   27   26   28   40   74                                       
CONECT   28   27   46   46   47                                       
CONECT   29    5   42                                                 
CONECT   30    6                                                      
CONECT   31    7   75                                                 
CONECT   32   10   76                                                 
CONECT   33   11   77                                                 
CONECT   34   12   78   79   80                                       
CONECT   35   13                                                      
CONECT   36   18   81   82   83                                       
CONECT   37   23   23                                                 
CONECT   38   25   39   41   84                                       
CONECT   39   38   40   85   86                                       
CONECT   40   27   39   87   88                                       
CONECT   41   38   89                                                 
CONECT   42   29   43   44   44                                       
CONECT   43   42   90   91                                            
CONECT   44   42   42                                                 
CONECT   45    9    9                                                 
CONECT   46   28   28                                                 
CONECT   47   28   92                                                 
CONECT   48    1                                                      
CONECT   49    1                                                      
CONECT   50    1                                                      
CONECT   51    2                                                      
CONECT   52    2                                                      
CONECT   53    3                                                      
CONECT   54    4                                                      
CONECT   55    5                                                      
CONECT   56    6                                                      
CONECT   57    7                                                      
CONECT   58    8                                                      
CONECT   59    8                                                      
CONECT   60   10                                                      
CONECT   61   11                                                      
CONECT   62   12                                                      
CONECT   63   14                                                      
CONECT   64   15                                                      
CONECT   65   16                                                      
CONECT   66   17                                                      
CONECT   67   19                                                      
CONECT   68   20                                                      
CONECT   69   21                                                      
CONECT   70   22                                                      
CONECT   71   25                                                      
CONECT   72   26                                                      
CONECT   73   26                                                      
CONECT   74   27                                                      
CONECT   75   31                                                      
CONECT   76   32                                                      
CONECT   77   33                                                      
CONECT   78   34                                                      
CONECT   79   34                                                      
CONECT   80   34                                                      
CONECT   81   36                                                      
CONECT   82   36                                                      
CONECT   83   36                                                      
CONECT   84   38                                                      
CONECT   85   39                                                      
CONECT   86   39                                                      
CONECT   87   40                                                      
CONECT   88   40                                                      
CONECT   89   41                                                      
CONECT   90   43                                                      
CONECT   91   43                                                      
CONECT   92   47                                                      
MASTER        0    0    0    0    0    0    0    0   92    0   92    0
END
