COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      10.475   0.873  -0.496  1.00  0.00           C  
HETATM    2  C   UNL     1       9.597  -0.316   1.422  1.00  0.00           C  
HETATM    3  C   UNL     1       8.226   0.354   1.293  1.00  0.00           C  
HETATM    4  C   UNL     1       6.086   0.095   0.322  1.00  0.00           C  
HETATM    5  O   UNL     1      -6.204   4.014  -0.256  1.00  0.00           O  
HETATM    6  O   UNL     1      -3.244  -1.199  -0.423  1.00  0.00           O  
HETATM    7  C   UNL     1       5.124  -0.518  -0.469  1.00  0.00           C  
HETATM    8  C   UNL     1       3.854   0.018  -0.552  1.00  0.00           C  
HETATM    9  C   UNL     1       3.539   1.170   0.156  1.00  0.00           C  
HETATM   10  C   UNL     1       1.153   0.881   0.011  1.00  0.00           C  
HETATM   11  C   UNL     1       0.308  -1.263   0.108  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.980  -0.752  -0.091  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.128   0.644  -0.242  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.501   2.582  -0.633  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.480   3.296  -1.241  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.610   4.659  -1.435  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.757   5.313  -1.023  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.780   4.609  -0.417  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.658   3.242  -0.219  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.953   3.004   0.368  1.00  0.00           C  
HETATM   21  C   UNL     1      -7.049   2.284   1.109  1.00  0.00           C  
HETATM   22  C   UNL     1      -8.372   3.029   0.914  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.147  -1.647  -0.148  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.084  -3.832  -0.061  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.930  -5.004  -0.787  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.000  -5.864  -0.945  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.225  -5.557  -0.382  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.383  -4.389   0.342  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.317  -3.525   0.505  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.596  -5.340  -1.402  1.00  0.00           C  
HETATM   31  C   UNL     1       4.502   1.783   0.947  1.00  0.00           C  
HETATM   32  C   UNL     1       5.770   1.245   1.034  1.00  0.00           C  
HETATM   33  C   UNL     1       7.978  -0.579  -0.926  1.00  0.00           C  
HETATM   34  C   UNL     1       9.348  -1.249  -0.798  1.00  0.00           C  
HETATM   35  N   UNL     1      10.202  -0.446   0.089  1.00  0.00           N  
HETATM   36  N   UNL     1       7.373  -0.449   0.407  1.00  0.00           N  
HETATM   37  N   UNL     1       2.251   1.714   0.071  1.00  0.00           N  
HETATM   38  N   UNL     1       1.329  -0.427   0.152  1.00  0.00           N  
HETATM   39  N   UNL     1      -2.374   1.201  -0.442  1.00  0.00           N  
HETATM   40  N   UNL     1      -4.693   2.526   0.397  1.00  0.00           N  
HETATM   41  N   UNL     1      -0.046   1.412  -0.179  1.00  0.00           N  
HETATM   42  N   UNL     1      -2.001  -2.962   0.106  1.00  0.00           N  
HETATM   43 CL   UNL     1      -4.514  -2.064   1.421  1.00  0.00          Cl  
HETATM   44  H   UNL     1      11.163   1.421   0.148  1.00  0.00           H  
HETATM   45  H   UNL     1      10.923   0.748  -1.482  1.00  0.00           H  
HETATM   46  H   UNL     1       9.543   1.430  -0.589  1.00  0.00           H  
HETATM   47  H   UNL     1      10.241   0.293   2.056  1.00  0.00           H  
HETATM   48  H   UNL     1       9.478  -1.304   1.866  1.00  0.00           H  
HETATM   49  H   UNL     1       7.763   0.425   2.277  1.00  0.00           H  
HETATM   50  H   UNL     1       8.348   1.353   0.875  1.00  0.00           H  
HETATM   51  H   UNL     1       5.368  -1.415  -1.020  1.00  0.00           H  
HETATM   52  H   UNL     1       3.106  -0.459  -1.168  1.00  0.00           H  
HETATM   53  H   UNL     1       0.463  -2.324   0.228  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.583   2.789  -1.563  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.814   5.214  -1.908  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.853   6.378  -1.177  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.674   5.123  -0.097  1.00  0.00           H  
HETATM   58  H   UNL     1      -7.144   1.269   0.722  1.00  0.00           H  
HETATM   59  H   UNL     1      -6.807   2.247   2.171  1.00  0.00           H  
HETATM   60  H   UNL     1      -8.615   3.066  -0.148  1.00  0.00           H  
HETATM   61  H   UNL     1      -9.165   2.508   1.450  1.00  0.00           H  
HETATM   62  H   UNL     1      -8.277   4.044   1.301  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.880  -6.776  -1.510  1.00  0.00           H  
HETATM   64  H   UNL     1      -6.060  -6.230  -0.507  1.00  0.00           H  
HETATM   65  H   UNL     1      -6.341  -4.152   0.781  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.003  -5.917  -0.692  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.751  -5.927  -2.308  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.069  -4.419  -1.652  1.00  0.00           H  
HETATM   69  H   UNL     1       4.257   2.680   1.497  1.00  0.00           H  
HETATM   70  H   UNL     1       6.518   1.722   1.650  1.00  0.00           H  
HETATM   71  H   UNL     1       8.096   0.409  -1.370  1.00  0.00           H  
HETATM   72  H   UNL     1       7.334  -1.188  -1.561  1.00  0.00           H  
HETATM   73  H   UNL     1       9.227  -2.248  -0.379  1.00  0.00           H  
HETATM   74  H   UNL     1       9.811  -1.321  -1.782  1.00  0.00           H  
HETATM   75  H   UNL     1       2.132   2.677   0.054  1.00  0.00           H  
HETATM   76  H   UNL     1      -3.162   0.636  -0.449  1.00  0.00           H  
HETATM   77  H   UNL     1      -4.503   1.687   0.844  1.00  0.00           H  
HETATM   78  H   UNL     1      -1.145  -3.306   0.405  1.00  0.00           H  
CONECT    1   35   44   45   46                                       
CONECT    2    3   35   47   48                                       
CONECT    3   36    2   49   50                                       
CONECT    4    7    7   32   36                                       
CONECT    5   20   20                                                 
CONECT    6   23   23                                                 
CONECT    7    8    4    4   51                                       
CONECT    8    9    9    7   52                                       
CONECT    9   37    8    8   31                                       
CONECT   10   38   38   41   37                                       
CONECT   11   12   12   38   53                                       
CONECT   12   23   11   11   13                                       
CONECT   13   12   39   41   41                                       
CONECT   14   39   15   15   19                                       
CONECT   15   14   14   16   54                                       
CONECT   16   15   17   17   55                                       
CONECT   17   16   16   18   56                                       
CONECT   18   19   19   17   57                                       
CONECT   19   14   40   18   18                                       
CONECT   20    5    5   21   40                                       
CONECT   21   20   22   58   59                                       
CONECT   22   21   60   61   62                                       
CONECT   23   42    6    6   12                                       
CONECT   24   25   25   29   42                                       
CONECT   25   26   30   24   24                                       
CONECT   26   27   27   25   63                                       
CONECT   27   26   26   28   64                                       
CONECT   28   27   29   29   65                                       
CONECT   29   28   28   24   43                                       
CONECT   30   25   66   67   68                                       
CONECT   31    9   32   32   69                                       
CONECT   32   31   31    4   70                                       
CONECT   33   36   34   71   72                                       
CONECT   34   33   35   73   74                                       
CONECT   35    2   34    1                                            
CONECT   36    4    3   33                                            
CONECT   37   10    9   75                                            
CONECT   38   11   10   10                                            
CONECT   39   13   14   76                                            
CONECT   40   20   19   77                                            
CONECT   41   13   13   10                                            
CONECT   42   24   23   78                                            
CONECT   43   29                                                      
CONECT   44    1                                                      
CONECT   45    1                                                      
CONECT   46    1                                                      
CONECT   47    2                                                      
CONECT   48    2                                                      
CONECT   49    3                                                      
CONECT   50    3                                                      
CONECT   51    7                                                      
CONECT   52    8                                                      
CONECT   53   11                                                      
CONECT   54   15                                                      
CONECT   55   16                                                      
CONECT   56   17                                                      
CONECT   57   18                                                      
CONECT   58   21                                                      
CONECT   59   21                                                      
CONECT   60   22                                                      
CONECT   61   22                                                      
CONECT   62   22                                                      
CONECT   63   26                                                      
CONECT   64   27                                                      
CONECT   65   28                                                      
CONECT   66   30                                                      
CONECT   67   30                                                      
CONECT   68   30                                                      
CONECT   69   31                                                      
CONECT   70   32                                                      
CONECT   71   33                                                      
CONECT   72   33                                                      
CONECT   73   34                                                      
CONECT   74   34                                                      
CONECT   75   37                                                      
CONECT   76   39                                                      
CONECT   77   40                                                      
CONECT   78   42                                                      
MASTER        0    0    0    0    0    0    0    0   78    0   78    0
END
