COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.263  -0.996   1.464  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.788  -1.007   1.344  1.00  0.00           C  
HETATM    3  O   UNL     1       9.314   1.432   0.147  1.00  0.00           O  
HETATM    4  C   UNL     1       8.406   0.463  -0.050  1.00  0.00           C  
HETATM    5  C   UNL     1       6.937   0.763   0.104  1.00  0.00           C  
HETATM    6  C   UNL     1       2.669  -1.340  -0.200  1.00  0.00           C  
HETATM    7  C   UNL     1       4.034  -1.435  -0.298  1.00  0.00           C  
HETATM    8  C   UNL     1       4.830  -0.320  -0.058  1.00  0.00           C  
HETATM    9  C   UNL     1       4.247   0.896   0.281  1.00  0.00           C  
HETATM   10  C   UNL     1       2.884   1.002   0.380  1.00  0.00           C  
HETATM   11  C   UNL     1       2.077  -0.116   0.135  1.00  0.00           C  
HETATM   12  C   UNL     1       0.616  -0.008   0.240  1.00  0.00           C  
HETATM   13  C   UNL     1      -7.561   1.804  -0.095  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.042   1.624  -0.145  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.789  -0.032  -0.862  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.658   0.359   0.627  1.00  0.00           C  
HETATM   17  C   UNL     1      -6.389  -0.842   0.021  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.333  -0.398  -0.919  1.00  0.00           C  
HETATM   19  C   UNL     1      -7.898  -0.590   0.066  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.249  -1.213  -0.025  1.00  0.00           C  
HETATM   21  N   UNL     1      -4.207   0.149   0.535  1.00  0.00           N  
HETATM   22  N   UNL     1      -1.658  -0.849   0.144  1.00  0.00           N  
HETATM   23  N   UNL     1      -8.214   0.630  -0.687  1.00  0.00           N  
HETATM   24  O   UNL     1      -1.744  -0.278  -1.972  1.00  0.00           O  
HETATM   25  O   UNL     1       0.106   1.051   0.540  1.00  0.00           O  
HETATM   26  O   UNL     1       6.179  -0.420  -0.155  1.00  0.00           O  
HETATM   27  O   UNL     1       8.766  -0.650  -0.350  1.00  0.00           O  
HETATM   28  H   UNL     1      -1.957  -0.163   2.098  1.00  0.00           H  
HETATM   29  H   UNL     1      -1.929  -1.932   1.911  1.00  0.00           H  
HETATM   30  H   UNL     1      -4.110  -1.929   0.859  1.00  0.00           H  
HETATM   31  H   UNL     1      -4.234  -0.942   2.337  1.00  0.00           H  
HETATM   32  H   UNL     1      10.244   1.191   0.037  1.00  0.00           H  
HETATM   33  H   UNL     1       6.741   1.106   1.120  1.00  0.00           H  
HETATM   34  H   UNL     1       6.649   1.541  -0.603  1.00  0.00           H  
HETATM   35  H   UNL     1       2.052  -2.207  -0.386  1.00  0.00           H  
HETATM   36  H   UNL     1       4.491  -2.378  -0.561  1.00  0.00           H  
HETATM   37  H   UNL     1       4.870   1.758   0.470  1.00  0.00           H  
HETATM   38  H   UNL     1       2.432   1.947   0.644  1.00  0.00           H  
HETATM   39  H   UNL     1      -7.880   1.913   0.941  1.00  0.00           H  
HETATM   40  H   UNL     1      -7.839   2.696  -0.656  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.721   1.529  -1.182  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.558   2.489   0.308  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.951   0.895  -1.411  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.378  -0.829  -1.315  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.944   0.470   1.673  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.073  -0.976  -1.014  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.153  -1.739   0.593  1.00  0.00           H  
HETATM   48  H   UNL     1      -8.421  -1.437  -0.378  1.00  0.00           H  
HETATM   49  H   UNL     1      -8.215  -0.470   1.102  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.083  -1.563  -1.044  1.00  0.00           H  
HETATM   51  H   UNL     1       0.008  -2.007   0.678  1.00  0.00           H  
HETATM   52  H   UNL     1      -7.965   0.529  -1.660  1.00  0.00           H  
CONECT    1   22    2   28   29                                       
CONECT    2   21    1   30   31                                       
CONECT    3    4   32                                                 
CONECT    4   27   27    5    3                                       
CONECT    5    4   26   33   34                                       
CONECT    6   11   11    7   35                                       
CONECT    7    8    8    6   36                                       
CONECT    8    9   26    7    7                                       
CONECT    9   10   10    8   37                                       
CONECT   10    9    9   11   38                                       
CONECT   11   10    6    6   12                                       
CONECT   12   11   20   25   25                                       
CONECT   13   23   14   39   40                                       
CONECT   14   16   13   41   42                                       
CONECT   15   18   21   43   44                                       
CONECT   16   17   21   14   45                                       
CONECT   17   19   16   46   47                                       
CONECT   18   24   24   22   15                                       
CONECT   19   17   23   48   49                                       
CONECT   20   12   22   50   51                                       
CONECT   21   15   16    2                                            
CONECT   22   20   18    1                                            
CONECT   23   19   13   52                                            
CONECT   24   18   18                                                 
CONECT   25   12   12                                                 
CONECT   26    5    8                                                 
CONECT   27    4    4                                                 
CONECT   28    1                                                      
CONECT   29    1                                                      
CONECT   30    2                                                      
CONECT   31    2                                                      
CONECT   32    3                                                      
CONECT   33    5                                                      
CONECT   34    5                                                      
CONECT   35    6                                                      
CONECT   36    7                                                      
CONECT   37    9                                                      
CONECT   38   10                                                      
CONECT   39   13                                                      
CONECT   40   13                                                      
CONECT   41   14                                                      
CONECT   42   14                                                      
CONECT   43   15                                                      
CONECT   44   15                                                      
CONECT   45   16                                                      
CONECT   46   17                                                      
CONECT   47   17                                                      
CONECT   48   19                                                      
CONECT   49   19                                                      
CONECT   50   20                                                      
CONECT   51   20                                                      
CONECT   52   23                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
