COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.957   0.545   2.168  1.00  0.00           C  
HETATM    2  C   UNL     1       2.860  -0.879   1.640  1.00  0.00           C  
HETATM    3  C   UNL     1       0.625  -1.777   1.772  1.00  0.00           C  
HETATM    4  C   UNL     1       0.830  -5.294   1.074  1.00  0.00           C  
HETATM    5  C   UNL     1       0.554  -5.709  -0.231  1.00  0.00           C  
HETATM    6  C   UNL     1       0.072  -0.534   2.083  1.00  0.00           C  
HETATM    7  C   UNL     1       2.327   0.378   1.951  1.00  0.00           C  
HETATM    8  C   UNL     1       1.985  -1.975   1.550  1.00  0.00           C  
HETATM    9  N   UNL     1       0.069  -3.020   1.610  1.00  0.00           N  
HETATM   10  C   UNL     1       1.077  -3.892   1.308  1.00  0.00           C  
HETATM   11  N   UNL     1       2.247  -3.295   1.263  1.00  0.00           N  
HETATM   12  C   UNL     1       0.310  -7.055  -0.502  1.00  0.00           C  
HETATM   13  C   UNL     1       0.340  -7.991   0.533  1.00  0.00           C  
HETATM   14  C   UNL     1       0.615  -7.580   1.837  1.00  0.00           C  
HETATM   15  C   UNL     1       0.860  -6.234   2.107  1.00  0.00           C  
HETATM   16 CL   UNL     1       0.032  -9.651   0.198  1.00  0.00          Cl  
HETATM   17 CL   UNL     1       1.199  -5.781   3.742  1.00  0.00          Cl  
HETATM   18  C   UNL     1      -1.351  -0.359   2.308  1.00  0.00           C  
HETATM   19  N   UNL     1      -1.737   0.656   3.194  1.00  0.00           N  
HETATM   20  C   UNL     1      -3.112   0.938   3.539  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.585   0.146   4.755  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.480  -1.347   4.562  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.554  -2.040   4.025  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.457  -3.420   3.846  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.288  -4.090   4.207  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.215  -3.379   4.746  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.312  -1.999   4.925  1.00  0.00           C  
HETATM   28  N   UNL     1      -3.189  -5.502   4.024  1.00  0.00           N  
HETATM   29  S   UNL     1      -3.190  -6.506   5.423  1.00  0.00           S  
HETATM   30  C   UNL     1      -4.931  -6.534   5.788  1.00  0.00           C  
HETATM   31  O   UNL     1      -2.822  -7.851   5.023  1.00  0.00           O  
HETATM   32  O   UNL     1      -2.514  -5.855   6.528  1.00  0.00           O  
HETATM   33  O   UNL     1      -2.179  -1.101   1.747  1.00  0.00           O  
HETATM   34  O   UNL     1       4.204  -1.018   1.431  1.00  0.00           O  
HETATM   35  H   UNL     1       0.581   1.538   2.408  1.00  0.00           H  
HETATM   36  H   UNL     1       0.526  -4.993  -1.050  1.00  0.00           H  
HETATM   37  H   UNL     1       2.985   1.241   2.026  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.913  -3.247   1.700  1.00  0.00           H  
HETATM   39  H   UNL     1       0.097  -7.361  -1.522  1.00  0.00           H  
HETATM   40  H   UNL     1       0.638  -8.312   2.642  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.021   1.191   3.674  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.717   0.677   2.665  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.196   2.018   3.703  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.983   0.427   5.628  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.620   0.416   5.003  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.469  -1.527   3.741  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.299  -3.964   3.425  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.300  -3.891   5.030  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.472  -1.454   5.346  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.744  -5.867   3.232  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.480  -6.546   4.846  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.146  -7.433   6.368  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.176  -5.640   6.363  1.00  0.00           H  
HETATM   54  H   UNL     1       4.437  -1.957   1.396  1.00  0.00           H  
CONECT    1    6    6    7   35                                       
CONECT    2    8   34    7    7                                       
CONECT    3    9    8    8    6                                       
CONECT    4    5    5   15   10                                       
CONECT    5    4    4   12   36                                       
CONECT    6    1    1    3   18                                       
CONECT    7    1    2    2   37                                       
CONECT    8    2    3    3   11                                       
CONECT    9    3   10   38                                            
CONECT   10    4    9   11   11                                       
CONECT   11    8   10   10                                            
CONECT   12    5   13   13   39                                       
CONECT   13   12   12   16   14                                       
CONECT   14   13   15   15   40                                       
CONECT   15    4   14   14   17                                       
CONECT   16   13                                                      
CONECT   17   15                                                      
CONECT   18    6   19   33   33                                       
CONECT   19   18   20   41                                            
CONECT   20   19   21   42   43                                       
CONECT   21   20   22   44   45                                       
CONECT   22   21   23   23   27                                       
CONECT   23   22   22   24   46                                       
CONECT   24   23   25   25   47                                       
CONECT   25   24   24   28   26                                       
CONECT   26   25   27   27   48                                       
CONECT   27   22   26   26   49                                       
CONECT   28   25   29   50                                            
CONECT   29   28   31   31   30                                       
CONECT   29   32   32                                                 
CONECT   30   29   51   52   53                                       
CONECT   31   29   29                                                 
CONECT   32   29   29                                                 
CONECT   33   18   18                                                 
CONECT   34    2   54                                                 
CONECT   35    1                                                      
CONECT   36    5                                                      
CONECT   37    7                                                      
CONECT   38    9                                                      
CONECT   39   12                                                      
CONECT   40   14                                                      
CONECT   41   19                                                      
CONECT   42   20                                                      
CONECT   43   20                                                      
CONECT   44   21                                                      
CONECT   45   21                                                      
CONECT   46   23                                                      
CONECT   47   24                                                      
CONECT   48   26                                                      
CONECT   49   27                                                      
CONECT   50   28                                                      
CONECT   51   30                                                      
CONECT   52   30                                                      
CONECT   53   30                                                      
CONECT   54   34                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
