COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1     -11.205   1.241   0.051  1.00  0.00           O  
HETATM    2  C   UNL     1     -10.310   1.967  -0.312  1.00  0.00           C  
HETATM    3  O   UNL     1     -10.555   2.939  -1.206  1.00  0.00           O  
HETATM    4  C   UNL     1      -8.921   1.786   0.242  1.00  0.00           C  
HETATM    5  C   UNL     1      -8.916   0.623   1.237  1.00  0.00           C  
HETATM    6  C   UNL     1      -7.505   0.440   1.800  1.00  0.00           C  
HETATM    7  C   UNL     1      -7.526  -0.623   2.868  1.00  0.00           C  
HETATM    8  N   UNL     1      -8.295  -0.463   3.963  1.00  0.00           N  
HETATM    9  O   UNL     1      -6.849  -1.622   2.743  1.00  0.00           O  
HETATM   10  N   UNL     1      -6.599   0.032   0.723  1.00  0.00           N  
HETATM   11  C   UNL     1      -5.279   0.288   0.821  1.00  0.00           C  
HETATM   12  O   UNL     1      -4.842   0.855   1.800  1.00  0.00           O  
HETATM   13  C   UNL     1      -4.347  -0.131  -0.287  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.417  -1.649  -0.466  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.567  -2.060  -1.670  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.637  -3.555  -1.846  1.00  0.00           C  
HETATM   17  O   UNL     1      -2.964  -4.145  -2.847  1.00  0.00           O  
HETATM   18  O   UNL     1      -4.298  -4.223  -1.087  1.00  0.00           O  
HETATM   19  N   UNL     1      -2.977   0.258   0.056  1.00  0.00           N  
HETATM   20  C   UNL     1      -2.070   0.461  -0.920  1.00  0.00           C  
HETATM   21  O   UNL     1      -2.388   0.322  -2.082  1.00  0.00           O  
HETATM   22  C   UNL     1      -0.660   0.860  -0.568  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.026  -0.224   0.306  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.034  -1.536  -0.436  1.00  0.00           C  
HETATM   25  O   UNL     1       0.419  -2.648   0.163  1.00  0.00           O  
HETATM   26  O   UNL     1      -0.448  -1.586  -1.570  1.00  0.00           O  
HETATM   27  C   UNL     1       0.159   1.025  -1.850  1.00  0.00           C  
HETATM   28  C   UNL     1       1.534   1.536  -1.505  1.00  0.00           C  
HETATM   29  C   UNL     1       2.617   0.790  -1.192  1.00  0.00           C  
HETATM   30  O   UNL     1       1.922   2.818  -1.456  1.00  0.00           O  
HETATM   31  N   UNL     1       3.088   2.924  -1.150  1.00  0.00           N  
HETATM   32  C   UNL     1       3.640   1.751  -0.958  1.00  0.00           C  
HETATM   33  C   UNL     1       5.048   1.481  -0.577  1.00  0.00           C  
HETATM   34  C   UNL     1       5.933   2.540  -0.382  1.00  0.00           C  
HETATM   35  C   UNL     1       7.241   2.289  -0.028  1.00  0.00           C  
HETATM   36  C   UNL     1       5.484   0.167  -0.408  1.00  0.00           C  
HETATM   37  C   UNL     1       6.791  -0.084  -0.053  1.00  0.00           C  
HETATM   38  C   UNL     1       7.679   0.975   0.135  1.00  0.00           C  
HETATM   39  C   UNL     1       9.086   0.704   0.517  1.00  0.00           C  
HETATM   40  C   UNL     1       9.526  -0.608   0.682  1.00  0.00           C  
HETATM   41  C   UNL     1       9.975   1.761   0.707  1.00  0.00           C  
HETATM   42  C   UNL     1      11.284   1.504   1.061  1.00  0.00           C  
HETATM   43  C   UNL     1      11.715   0.201   1.228  1.00  0.00           C  
HETATM   44  C   UNL     1      10.838  -0.854   1.037  1.00  0.00           C  
HETATM   45 CL   UNL     1      11.388  -2.487   1.243  1.00  0.00          Cl  
HETATM   46  H   UNL     1     -11.463   3.019  -1.530  1.00  0.00           H  
HETATM   47  H   UNL     1      -8.230   1.570  -0.572  1.00  0.00           H  
HETATM   48  H   UNL     1      -8.610   2.700   0.750  1.00  0.00           H  
HETATM   49  H   UNL     1      -9.607   0.839   2.052  1.00  0.00           H  
HETATM   50  H   UNL     1      -9.227  -0.290   0.729  1.00  0.00           H  
HETATM   51  H   UNL     1      -7.160   1.380   2.229  1.00  0.00           H  
HETATM   52  H   UNL     1      -8.308  -1.147   4.651  1.00  0.00           H  
HETATM   53  H   UNL     1      -8.836   0.336   4.064  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.949  -0.421  -0.060  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.642   0.359  -1.215  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.038  -2.138   0.431  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.452  -1.947  -0.633  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.947  -1.570  -2.566  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.532  -1.761  -1.503  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.039  -5.106  -2.920  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.722   0.369   0.985  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.675   1.804  -0.023  1.00  0.00           H  
HETATM   63  H   UNL     1       1.001   0.054   0.541  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.596  -0.326   1.229  1.00  0.00           H  
HETATM   65  H   UNL     1       0.394  -3.466  -0.353  1.00  0.00           H  
HETATM   66  H   UNL     1       0.244   0.062  -2.353  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.338   1.737  -2.510  1.00  0.00           H  
HETATM   68  H   UNL     1       2.690  -0.286  -1.134  1.00  0.00           H  
HETATM   69  H   UNL     1       5.594   3.557  -0.509  1.00  0.00           H  
HETATM   70  H   UNL     1       7.926   3.109   0.123  1.00  0.00           H  
HETATM   71  H   UNL     1       4.797  -0.653  -0.554  1.00  0.00           H  
HETATM   72  H   UNL     1       7.129  -1.102   0.078  1.00  0.00           H  
HETATM   73  H   UNL     1       8.842  -1.431   0.533  1.00  0.00           H  
HETATM   74  H   UNL     1       9.640   2.779   0.576  1.00  0.00           H  
HETATM   75  H   UNL     1      11.973   2.322   1.208  1.00  0.00           H  
HETATM   76  H   UNL     1      12.740   0.004   1.505  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    4    1    1    3                                       
CONECT    3    2   46                                                 
CONECT    4    5    2   47   48                                       
CONECT    5    6    4   49   50                                       
CONECT    6   10    7    5   51                                       
CONECT    7    8    9    9    6                                       
CONECT    8    7   52   53                                            
CONECT    9    7    7                                                 
CONECT   10   11    6   54                                            
CONECT   11   13   12   12   10                                       
CONECT   12   11   11                                                 
CONECT   13   14   19   11   55                                       
CONECT   14   15   13   56   57                                       
CONECT   15   16   14   58   59                                       
CONECT   16   18   18   17   15                                       
CONECT   17   16   60                                                 
CONECT   18   16   16                                                 
CONECT   19   20   13   61                                            
CONECT   20   22   19   21   21                                       
CONECT   21   20   20                                                 
CONECT   22   23   27   20   62                                       
CONECT   23   24   22   63   64                                       
CONECT   24   26   26   25   23                                       
CONECT   25   24   65                                                 
CONECT   26   24   24                                                 
CONECT   27   22   28   66   67                                       
CONECT   28   27   29   29   30                                       
CONECT   29   28   28   32   68                                       
CONECT   30   28   31                                                 
CONECT   31   32   32   30                                            
CONECT   32   29   33   31   31                                       
CONECT   33   36   32   34   34                                       
CONECT   34   33   33   35   69                                       
CONECT   35   38   38   34   70                                       
CONECT   36   37   37   33   71                                       
CONECT   37   36   36   38   72                                       
CONECT   38   37   39   35   35                                       
CONECT   39   38   41   41   40                                       
CONECT   40   39   44   44   73                                       
CONECT   41   39   39   42   74                                       
CONECT   42   41   43   43   75                                       
CONECT   43   42   42   44   76                                       
CONECT   44   40   40   43   45                                       
CONECT   45   44                                                      
CONECT   46    3                                                      
CONECT   47    4                                                      
CONECT   48    4                                                      
CONECT   49    5                                                      
CONECT   50    5                                                      
CONECT   51    6                                                      
CONECT   52    8                                                      
CONECT   53    8                                                      
CONECT   54   10                                                      
CONECT   55   13                                                      
CONECT   56   14                                                      
CONECT   57   14                                                      
CONECT   58   15                                                      
CONECT   59   15                                                      
CONECT   60   17                                                      
CONECT   61   19                                                      
CONECT   62   22                                                      
CONECT   63   23                                                      
CONECT   64   23                                                      
CONECT   65   25                                                      
CONECT   66   27                                                      
CONECT   67   27                                                      
CONECT   68   29                                                      
CONECT   69   34                                                      
CONECT   70   35                                                      
CONECT   71   36                                                      
CONECT   72   37                                                      
CONECT   73   40                                                      
CONECT   74   41                                                      
CONECT   75   42                                                      
CONECT   76   43                                                      
MASTER        0    0    0    0    0    0    0    0   76    0   76    0
END
