COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.577  -0.502   0.248  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.767   0.271  -0.159  1.00  0.00           C  
HETATM    3  O   UNL     1      -2.667  -1.340   1.124  1.00  0.00           O  
HETATM    4  C   UNL     1      -3.670   1.231  -1.169  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.779   1.951  -1.551  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.999   0.042   0.460  1.00  0.00           C  
HETATM    7  C   UNL     1      -6.108   0.768   0.072  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.010   1.731  -0.937  1.00  0.00           C  
HETATM    9  N   UNL     1      -7.114   2.466  -1.348  1.00  0.00           N  
HETATM   10  C   UNL     1      -8.215   2.688  -0.633  1.00  0.00           C  
HETATM   11  C   UNL     1      -8.430   2.142   0.751  1.00  0.00           C  
HETATM   12  S   UNL     1      -7.666   0.488   0.852  1.00  0.00           S  
HETATM   13  O   UNL     1      -9.090   3.368  -1.125  1.00  0.00           O  
HETATM   14  N   UNL     1      -1.391  -0.278  -0.352  1.00  0.00           N  
HETATM   15  C   UNL     1      -0.210  -1.045   0.052  1.00  0.00           C  
HETATM   16  C   UNL     1       1.034  -0.254  -0.264  1.00  0.00           C  
HETATM   17  O   UNL     1       0.943   0.841  -0.775  1.00  0.00           O  
HETATM   18  C   UNL     1      -0.178  -2.371  -0.709  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.359  -3.214  -0.301  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.553  -3.112  -0.990  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.247  -4.092   0.761  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.636  -3.884  -0.615  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.332  -4.860   1.140  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.526  -4.758   0.450  1.00  0.00           C  
HETATM   25  C   UNL     1       7.550   1.664   0.431  1.00  0.00           C  
HETATM   26  C   UNL     1       8.220   1.445  -0.757  1.00  0.00           C  
HETATM   27  C   UNL     1       7.750   0.502  -1.655  1.00  0.00           C  
HETATM   28  C   UNL     1       6.608  -0.223  -1.364  1.00  0.00           C  
HETATM   29  C   UNL     1       5.934  -0.008  -0.178  1.00  0.00           C  
HETATM   30  C   UNL     1       6.407   0.934   0.726  1.00  0.00           C  
HETATM   31 CL   UNL     1       8.593   0.230  -3.147  1.00  0.00          Cl  
HETATM   32  N   UNL     1       5.726   1.154   1.933  1.00  0.00           N  
HETATM   33  C   UNL     1       6.051   2.026   2.911  1.00  0.00           C  
HETATM   34  N   UNL     1       5.151   1.908   3.852  1.00  0.00           N  
HETATM   35  N   UNL     1       4.279   1.020   3.535  1.00  0.00           N  
HETATM   36  N   UNL     1       4.553   0.519   2.379  1.00  0.00           N  
HETATM   37  C   UNL     1       4.691  -0.798   0.138  1.00  0.00           C  
HETATM   38  C   UNL     1       3.457   0.003  -0.284  1.00  0.00           C  
HETATM   39  N   UNL     1       2.248  -0.765   0.023  1.00  0.00           N  
HETATM   40  H   UNL     1      -2.720   1.409  -1.652  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.695   2.692  -2.332  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.084  -0.701   1.239  1.00  0.00           H  
HETATM   43  H   UNL     1      -7.080   2.852  -2.237  1.00  0.00           H  
HETATM   44  H   UNL     1      -7.970   2.808   1.482  1.00  0.00           H  
HETATM   45  H   UNL     1      -9.498   2.063   0.950  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.319   0.391  -1.051  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.253  -1.242   1.123  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.224  -2.176  -1.781  1.00  0.00           H  
HETATM   49  H   UNL     1       0.745  -2.902  -0.476  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.639  -2.428  -1.823  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.314  -4.172   1.300  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.569  -3.804  -1.154  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.246  -5.543   1.972  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.372  -5.361   0.744  1.00  0.00           H  
HETATM   55  H   UNL     1       7.918   2.400   1.130  1.00  0.00           H  
HETATM   56  H   UNL     1       9.111   2.010  -0.986  1.00  0.00           H  
HETATM   57  H   UNL     1       6.242  -0.959  -2.066  1.00  0.00           H  
HETATM   58  H   UNL     1       6.898   2.696   2.916  1.00  0.00           H  
HETATM   59  H   UNL     1       4.713  -1.743  -0.405  1.00  0.00           H  
HETATM   60  H   UNL     1       4.647  -0.995   1.209  1.00  0.00           H  
HETATM   61  H   UNL     1       3.434   0.948   0.259  1.00  0.00           H  
HETATM   62  H   UNL     1       3.500   0.200  -1.355  1.00  0.00           H  
HETATM   63  H   UNL     1       2.321  -1.642   0.432  1.00  0.00           H  
CONECT    1   14    3    3    2                                       
CONECT    2    1    4    4    6                                       
CONECT    3    1    1                                                 
CONECT    4    2    2    5   40                                       
CONECT    5    4    8    8   41                                       
CONECT    6    2    7    7   42                                       
CONECT    7    6    6    8   12                                       
CONECT    8    5    5    7    9                                       
CONECT    9    8   10   43                                            
CONECT   10    9   11   13   13                                       
CONECT   11   10   12   44   45                                       
CONECT   12    7   11                                                 
CONECT   13   10   10                                                 
CONECT   14   15    1   46                                            
CONECT   15   16   18   14   47                                       
CONECT   16   39   15   17   17                                       
CONECT   17   16   16                                                 
CONECT   18   15   19   48   49                                       
CONECT   19   18   20   20   21                                       
CONECT   20   19   19   22   50                                       
CONECT   21   19   23   23   51                                       
CONECT   22   20   24   24   52                                       
CONECT   23   24   21   21   53                                       
CONECT   24   22   22   23   54                                       
CONECT   25   30   30   26   55                                       
CONECT   26   25   27   27   56                                       
CONECT   27   26   26   28   31                                       
CONECT   28   27   29   29   57                                       
CONECT   29   28   28   37   30                                       
CONECT   30   25   25   29   32                                       
CONECT   31   27                                                      
CONECT   32   30   36   33                                            
CONECT   33   32   34   34   58                                       
CONECT   34   33   33   35                                            
CONECT   35   34   36   36                                            
CONECT   36   32   35   35                                            
CONECT   37   29   38   59   60                                       
CONECT   38   37   39   61   62                                       
CONECT   39   38   16   63                                            
CONECT   40    4                                                      
CONECT   41    5                                                      
CONECT   42    6                                                      
CONECT   43    9                                                      
CONECT   44   11                                                      
CONECT   45   11                                                      
CONECT   46   14                                                      
CONECT   47   15                                                      
CONECT   48   18                                                      
CONECT   49   18                                                      
CONECT   50   20                                                      
CONECT   51   21                                                      
CONECT   52   22                                                      
CONECT   53   23                                                      
CONECT   54   24                                                      
CONECT   55   25                                                      
CONECT   56   26                                                      
CONECT   57   28                                                      
CONECT   58   33                                                      
CONECT   59   37                                                      
CONECT   60   37                                                      
CONECT   61   38                                                      
CONECT   62   38                                                      
CONECT   63   39                                                      
MASTER        0    0    0    0    0    0    0    0   63    0   63    0
END
