COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      15.225  -3.554  26.741  1.00  0.00           C  
HETATM    2  C   UNL     1      16.035  -4.854  27.144  1.00  0.00           C  
HETATM    3  C   UNL     1      16.964  -4.587  28.348  1.00  0.00           C  
HETATM    4  C   UNL     1      17.969  -3.447  28.044  1.00  0.00           C  
HETATM    5  C   UNL     1      17.306  -2.369  27.123  1.00  0.00           C  
HETATM    6  N   UNL     1      15.850  -2.373  27.410  1.00  0.00           N  
HETATM    7  C   UNL     1      15.262  -1.041  27.054  1.00  0.00           C  
HETATM    8  C   UNL     1      14.580  -1.005  25.659  1.00  0.00           C  
HETATM    9  C   UNL     1      13.979   0.389  25.411  1.00  0.00           C  
HETATM   10  C   UNL     1      14.300  -0.535  28.171  1.00  0.00           C  
HETATM   11  C   UNL     1      12.877  -0.228  27.659  1.00  0.00           C  
HETATM   12  N   UNL     1      12.903   0.619  26.417  1.00  0.00           N  
HETATM   13  C   UNL     1      11.885   1.597  26.248  1.00  0.00           C  
HETATM   14  C   UNL     1      11.094   1.912  27.350  1.00  0.00           C  
HETATM   15  C   UNL     1      10.073   2.844  27.259  1.00  0.00           C  
HETATM   16  C   UNL     1      11.620   2.247  25.040  1.00  0.00           C  
HETATM   17  C   UNL     1      12.309   2.115  23.676  1.00  0.00           C  
HETATM   18  N   UNL     1      11.545   3.071  22.875  1.00  0.00           N  
HETATM   19  C   UNL     1      11.775   3.348  21.451  1.00  0.00           C  
HETATM   20  C   UNL     1      10.605   3.652  23.613  1.00  0.00           C  
HETATM   21  O   UNL     1       9.836   4.500  23.160  1.00  0.00           O  
HETATM   22  C   UNL     1      10.600   3.193  24.935  1.00  0.00           C  
HETATM   23  C   UNL     1       9.810   3.489  26.056  1.00  0.00           C  
HETATM   24  N   UNL     1       8.804   4.387  26.022  1.00  0.00           N  
HETATM   25  C   UNL     1       7.511   3.995  26.063  1.00  0.00           C  
HETATM   26  N   UNL     1       7.160   2.846  26.675  1.00  0.00           N  
HETATM   27  C   UNL     1       6.495   4.750  25.479  1.00  0.00           C  
HETATM   28 CL   UNL     1       6.822   6.257  24.674  1.00  0.00          Cl  
HETATM   29  C   UNL     1       5.186   4.272  25.557  1.00  0.00           C  
HETATM   30  N   UNL     1       4.909   3.128  26.167  1.00  0.00           N  
HETATM   31  C   UNL     1       5.886   2.414  26.730  1.00  0.00           C  
HETATM   32  N   UNL     1       5.576   1.266  27.324  1.00  0.00           N  
HETATM   33  C   UNL     1       6.432   0.542  28.055  1.00  0.00           C  
HETATM   34  C   UNL     1       7.716   0.249  27.604  1.00  0.00           C  
HETATM   35  C   UNL     1       8.586  -0.507  28.386  1.00  0.00           C  
HETATM   36  C   UNL     1       8.177  -0.996  29.620  1.00  0.00           C  
HETATM   37  C   UNL     1       6.892  -0.712  30.069  1.00  0.00           C  
HETATM   38  C   UNL     1       6.020   0.050  29.289  1.00  0.00           C  
HETATM   39  O   UNL     1       4.763   0.321  29.718  1.00  0.00           O  
HETATM   40  C   UNL     1       4.378  -0.687  30.687  1.00  0.00           C  
HETATM   41  H   UNL     1      15.255  -3.421  25.649  1.00  0.00           H  
HETATM   42  H   UNL     1      14.177  -3.653  27.059  1.00  0.00           H  
HETATM   43  H   UNL     1      15.322  -5.647  27.414  1.00  0.00           H  
HETATM   44  H   UNL     1      16.655  -5.157  26.287  1.00  0.00           H  
HETATM   45  H   UNL     1      16.350  -4.298  29.213  1.00  0.00           H  
HETATM   46  H   UNL     1      17.533  -5.505  28.558  1.00  0.00           H  
HETATM   47  H   UNL     1      18.277  -2.975  28.989  1.00  0.00           H  
HETATM   48  H   UNL     1      18.844  -3.869  27.528  1.00  0.00           H  
HETATM   49  H   UNL     1      17.731  -1.377  27.334  1.00  0.00           H  
HETATM   50  H   UNL     1      17.492  -2.598  26.063  1.00  0.00           H  
HETATM   51  H   UNL     1      16.113  -0.348  26.982  1.00  0.00           H  
HETATM   52  H   UNL     1      15.327  -1.224  24.882  1.00  0.00           H  
HETATM   53  H   UNL     1      13.779  -1.758  25.626  1.00  0.00           H  
HETATM   54  H   UNL     1      14.227  -1.317  28.942  1.00  0.00           H  
HETATM   55  H   UNL     1      14.717   0.405  28.562  1.00  0.00           H  
HETATM   56  H   UNL     1      14.759   1.157  25.516  1.00  0.00           H  
HETATM   57  H   UNL     1      13.565   0.448  24.393  1.00  0.00           H  
HETATM   58  H   UNL     1      12.372  -1.178  27.428  1.00  0.00           H  
HETATM   59  H   UNL     1      12.342   0.328  28.443  1.00  0.00           H  
HETATM   60  H   UNL     1      11.280   1.420  28.294  1.00  0.00           H  
HETATM   61  H   UNL     1       9.476   3.071  28.130  1.00  0.00           H  
HETATM   62  H   UNL     1      13.378   2.370  23.722  1.00  0.00           H  
HETATM   63  H   UNL     1      12.309   1.092  23.272  1.00  0.00           H  
HETATM   64  H   UNL     1      11.833   4.435  21.293  1.00  0.00           H  
HETATM   65  H   UNL     1      12.719   2.881  21.135  1.00  0.00           H  
HETATM   66  H   UNL     1      10.945   2.935  20.859  1.00  0.00           H  
HETATM   67  H   UNL     1       9.019   5.362  25.965  1.00  0.00           H  
HETATM   68  H   UNL     1       4.385   4.844  25.113  1.00  0.00           H  
HETATM   69  H   UNL     1       4.643   0.921  27.218  1.00  0.00           H  
HETATM   70  H   UNL     1       8.040   0.611  26.639  1.00  0.00           H  
HETATM   71  H   UNL     1       9.585  -0.714  28.031  1.00  0.00           H  
HETATM   72  H   UNL     1       8.848  -1.589  30.223  1.00  0.00           H  
HETATM   73  H   UNL     1       6.566  -1.084  31.029  1.00  0.00           H  
HETATM   74  H   UNL     1       4.280  -1.661  30.185  1.00  0.00           H  
HETATM   75  H   UNL     1       5.147  -0.754  31.471  1.00  0.00           H  
HETATM   76  H   UNL     1       3.415  -0.410  31.140  1.00  0.00           H  
CONECT    1    2    6   41   42                                       
CONECT    2    1    3   43   44                                       
CONECT    3    2    4   45   46                                       
CONECT    4    3    5   47   48                                       
CONECT    5    4    6   49   50                                       
CONECT    6    1    5    7                                            
CONECT    7    6    8   10   51                                       
CONECT    8    7    9   52   53                                       
CONECT    9    8   12   56   57                                       
CONECT   10    7   11   54   55                                       
CONECT   11   10   12   58   59                                       
CONECT   12    9   11   13                                            
CONECT   13   12   14   16   16                                       
CONECT   14   13   15   15   60                                       
CONECT   15   14   14   23   61                                       
CONECT   16   13   13   17   22                                       
CONECT   17   16   18   62   63                                       
CONECT   18   17   19   20                                            
CONECT   19   18   64   65   66                                       
CONECT   20   18   21   21   22                                       
CONECT   21   20   20                                                 
CONECT   22   16   20   23   23                                       
CONECT   23   15   22   22   24                                       
CONECT   24   23   25   67                                            
CONECT   25   24   26   27   27                                       
CONECT   26   25   31   31                                            
CONECT   27   25   25   28   29                                       
CONECT   28   27                                                      
CONECT   29   27   30   30   68                                       
CONECT   30   29   29   31                                            
CONECT   31   26   26   30   32                                       
CONECT   32   31   33   69                                            
CONECT   33   32   34   38   38                                       
CONECT   34   33   35   35   70                                       
CONECT   35   34   34   36   71                                       
CONECT   36   35   37   37   72                                       
CONECT   37   36   36   38   73                                       
CONECT   38   33   33   37   39                                       
CONECT   39   38   40                                                 
CONECT   40   39   74   75   76                                       
CONECT   41    1                                                      
CONECT   42    1                                                      
CONECT   43    2                                                      
CONECT   44    2                                                      
CONECT   45    3                                                      
CONECT   46    3                                                      
CONECT   47    4                                                      
CONECT   48    4                                                      
CONECT   49    5                                                      
CONECT   50    5                                                      
CONECT   51    7                                                      
CONECT   52    8                                                      
CONECT   53    8                                                      
CONECT   54   10                                                      
CONECT   55   10                                                      
CONECT   56    9                                                      
CONECT   57    9                                                      
CONECT   58   11                                                      
CONECT   59   11                                                      
CONECT   60   14                                                      
CONECT   61   15                                                      
CONECT   62   17                                                      
CONECT   63   17                                                      
CONECT   64   19                                                      
CONECT   65   19                                                      
CONECT   66   19                                                      
CONECT   67   24                                                      
CONECT   68   29                                                      
CONECT   69   32                                                      
CONECT   70   34                                                      
CONECT   71   35                                                      
CONECT   72   36                                                      
CONECT   73   37                                                      
CONECT   74   40                                                      
CONECT   75   40                                                      
CONECT   76   40                                                      
MASTER        0    0    0    0    0    0    0    0   76    0   76    0
END
