COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.206   1.008  -0.018  1.00  0.00           C  
HETATM    2  N   UNL     1      -2.808  -0.177   0.569  1.00  0.00           N  
HETATM    3  O   UNL     1      -2.830   3.210  -0.683  1.00  0.00           O  
HETATM    4 CL   UNL     1      -7.726  -3.273  -0.202  1.00  0.00          Cl  
HETATM    5  C   UNL     1      -2.378   2.217  -0.145  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.483   0.877  -0.465  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.916  -0.434  -0.153  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.847  -1.075   0.502  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.116  -1.126  -0.364  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.996  -2.392   0.928  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.187  -3.050   0.715  1.00  0.00           C  
HETATM   12  C   UNL     1      -6.238  -2.418   0.061  1.00  0.00           C  
HETATM   13  C   UNL     1       1.329   5.544  -0.287  1.00  0.00           C  
HETATM   14  C   UNL     1       1.882   4.277  -0.283  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.029   5.712  -0.087  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.842   4.613   0.119  1.00  0.00           C  
HETATM   17  C   UNL     1       2.932   1.716   0.232  1.00  0.00           C  
HETATM   18  O   UNL     1       3.598   2.664   0.602  1.00  0.00           O  
HETATM   19  C   UNL     1      -0.297   3.338   0.125  1.00  0.00           C  
HETATM   20  N   UNL     1      -1.118   2.224   0.334  1.00  0.00           N  
HETATM   21  C   UNL     1       1.073   3.169  -0.077  1.00  0.00           C  
HETATM   22  N   UNL     1       1.630   1.885  -0.073  1.00  0.00           N  
HETATM   23  C   UNL     1       3.548   0.384   0.118  1.00  0.00           C  
HETATM   24  N   UNL     1       4.790   0.099   0.384  1.00  0.00           N  
HETATM   25  S   UNL     1       2.723  -1.085  -0.392  1.00  0.00           S  
HETATM   26  C   UNL     1       4.168  -1.975  -0.204  1.00  0.00           C  
HETATM   27  N   UNL     1       5.782  -3.744  -0.560  1.00  0.00           N  
HETATM   28  C   UNL     1       4.343  -3.455  -0.463  1.00  0.00           C  
HETATM   29  C   UNL     1       6.507  -3.193   0.594  1.00  0.00           C  
HETATM   30  C   UNL     1       6.567  -1.669   0.487  1.00  0.00           C  
HETATM   31  C   UNL     1       5.158  -1.152   0.223  1.00  0.00           C  
HETATM   32  C   UNL     1       6.021  -5.188  -0.690  1.00  0.00           C  
HETATM   33  H   UNL     1      -1.938  -0.348   0.964  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.063   1.637  -0.967  1.00  0.00           H  
HETATM   35  H   UNL     1      -6.941  -0.640  -0.862  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.181  -2.897   1.425  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.300  -4.072   1.047  1.00  0.00           H  
HETATM   38  H   UNL     1       1.961   6.406  -0.444  1.00  0.00           H  
HETATM   39  H   UNL     1       2.943   4.150  -0.440  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.455   6.704  -0.092  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.902   4.748   0.275  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.781   1.457   0.823  1.00  0.00           H  
HETATM   43  H   UNL     1       1.079   1.116  -0.289  1.00  0.00           H  
HETATM   44  H   UNL     1       3.909  -4.024   0.359  1.00  0.00           H  
HETATM   45  H   UNL     1       3.852  -3.723  -1.398  1.00  0.00           H  
HETATM   46  H   UNL     1       5.988  -3.466   1.513  1.00  0.00           H  
HETATM   47  H   UNL     1       7.519  -3.597   0.614  1.00  0.00           H  
HETATM   48  H   UNL     1       6.950  -1.250   1.418  1.00  0.00           H  
HETATM   49  H   UNL     1       7.218  -1.384  -0.340  1.00  0.00           H  
HETATM   50  H   UNL     1       5.471  -5.571  -1.550  1.00  0.00           H  
HETATM   51  H   UNL     1       7.087  -5.369  -0.830  1.00  0.00           H  
HETATM   52  H   UNL     1       5.682  -5.695   0.213  1.00  0.00           H  
CONECT    1    2    5    6    6                                       
CONECT    2    1    8   33                                            
CONECT    3    5    5                                                 
CONECT    4   12                                                      
CONECT    5    1    3    3   20                                       
CONECT    6    1    1    7   34                                       
CONECT    7    6    8    8    9                                       
CONECT    8    2    7    7   10                                       
CONECT    9    7   12   12   35                                       
CONECT   10    8   11   11   36                                       
CONECT   11   10   10   12   37                                       
CONECT   12    4    9    9   11                                       
CONECT   13   14   14   15   38                                       
CONECT   14   13   13   21   39                                       
CONECT   15   13   16   16   40                                       
CONECT   16   15   15   19   41                                       
CONECT   17   18   18   22   23                                       
CONECT   18   17   17                                                 
CONECT   19   16   20   21   21                                       
CONECT   20    5   19   42                                            
CONECT   21   14   19   19   22                                       
CONECT   22   17   21   43                                            
CONECT   23   17   24   24   25                                       
CONECT   24   23   23   31                                            
CONECT   25   23   26                                                 
CONECT   26   25   28   31   31                                       
CONECT   27   28   29   32                                            
CONECT   28   26   27   44   45                                       
CONECT   29   27   30   46   47                                       
CONECT   30   29   31   48   49                                       
CONECT   31   24   26   26   30                                       
CONECT   32   27   50   51   52                                       
CONECT   33    2                                                      
CONECT   34    6                                                      
CONECT   35    9                                                      
CONECT   36   10                                                      
CONECT   37   11                                                      
CONECT   38   13                                                      
CONECT   39   14                                                      
CONECT   40   15                                                      
CONECT   41   16                                                      
CONECT   42   20                                                      
CONECT   43   22                                                      
CONECT   44   28                                                      
CONECT   45   28                                                      
CONECT   46   29                                                      
CONECT   47   29                                                      
CONECT   48   30                                                      
CONECT   49   30                                                      
CONECT   50   32                                                      
CONECT   51   32                                                      
CONECT   52   32                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
