COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       0.780   2.016  -0.890  1.00  0.00           N  
HETATM    2  N   UNL     1      -4.323  -2.300   2.364  1.00  0.00           N  
HETATM    3  C   UNL     1       0.924  -2.921   0.256  1.00  0.00           C  
HETATM    4  C   UNL     1       0.418  -1.285  -1.579  1.00  0.00           C  
HETATM    5  C   UNL     1       1.553  -0.347  -1.162  1.00  0.00           C  
HETATM    6  C   UNL     1       2.248   0.186  -2.420  1.00  0.00           C  
HETATM    7  C   UNL     1       1.293   1.153  -3.129  1.00  0.00           C  
HETATM    8  C   UNL     1       0.985   0.803  -0.377  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.851   4.925   1.590  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.129   4.314   0.905  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.417   2.543  -0.687  1.00  0.00           C  
HETATM   12  C   UNL     1       2.562  -1.081  -0.316  1.00  0.00           C  
HETATM   13  C   UNL     1       3.832  -0.528  -0.208  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.557  -3.060  -0.618  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.013  -3.956  -0.737  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.185  -2.592   1.274  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.007  -2.971  -0.137  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.055  -2.480  -1.138  1.00  0.00           C  
HETATM   19  S   UNL     1      -1.561  -1.803   0.227  1.00  0.00           S  
HETATM   20  O   UNL     1      -1.935  -0.500  -0.200  1.00  0.00           O  
HETATM   21  O   UNL     1      -1.434  -2.112   1.608  1.00  0.00           O  
HETATM   22  N   UNL     1      -0.034  -2.009  -0.380  1.00  0.00           N  
HETATM   23  C   UNL     1       2.275  -2.256   0.342  1.00  0.00           C  
HETATM   24  C   UNL     1       3.250  -2.872   1.114  1.00  0.00           C  
HETATM   25  C   UNL     1       4.510  -2.320   1.223  1.00  0.00           C  
HETATM   26  C   UNL     1       4.803  -1.143   0.557  1.00  0.00           C  
HETATM   27 CL   UNL     1       6.386  -0.443   0.682  1.00  0.00          Cl  
HETATM   28  O   UNL     1       0.699   0.617   0.787  1.00  0.00           O  
HETATM   29  C   UNL     1       1.120   2.396  -2.256  1.00  0.00           C  
HETATM   30  C   UNL     1       0.198   2.984  -0.068  1.00  0.00           C  
HETATM   31  C   UNL     1      -1.205   3.139  -0.017  1.00  0.00           C  
HETATM   32  C   UNL     1      -2.072   2.345  -0.778  1.00  0.00           C  
HETATM   33  C   UNL     1      -3.943   3.524   0.151  1.00  0.00           C  
HETATM   34  C   UNL     1      -1.738   4.139   0.837  1.00  0.00           C  
HETATM   35  N   UNL     1       0.443   4.732   1.499  1.00  0.00           N  
HETATM   36  C   UNL     1       0.979   3.809   0.714  1.00  0.00           C  
HETATM   37  H   UNL     1       0.577  -3.169   1.259  1.00  0.00           H  
HETATM   38  H   UNL     1       1.004  -3.832  -0.336  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.407  -0.705  -1.993  1.00  0.00           H  
HETATM   40  H   UNL     1       0.780  -1.994  -2.323  1.00  0.00           H  
HETATM   41  H   UNL     1       3.161   0.711  -2.140  1.00  0.00           H  
HETATM   42  H   UNL     1       2.492  -0.644  -3.084  1.00  0.00           H  
HETATM   43  H   UNL     1       1.711   1.439  -4.094  1.00  0.00           H  
HETATM   44  H   UNL     1       0.327   0.669  -3.277  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.236   5.695   2.243  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.551   5.071   1.549  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.086   1.930  -1.273  1.00  0.00           H  
HETATM   48  H   UNL     1       4.061   0.391  -0.726  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.161  -4.050  -0.393  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.521  -2.890  -1.694  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.642  -4.668  -1.474  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.806  -4.324  -0.086  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.711  -2.221  -2.139  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.876  -1.877  -0.752  1.00  0.00           H  
HETATM   55  H   UNL     1       3.021  -3.790   1.634  1.00  0.00           H  
HETATM   56  H   UNL     1       5.264  -2.804   1.826  1.00  0.00           H  
HETATM   57  H   UNL     1       0.322   3.016  -2.665  1.00  0.00           H  
HETATM   58  H   UNL     1       2.049   2.966  -2.251  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.677   1.581  -1.432  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.013   3.659   0.205  1.00  0.00           H  
HETATM   61  H   UNL     1       2.053   3.700   0.685  1.00  0.00           H  
CONECT    1   29   30    8                                            
CONECT    2   16   16   16                                            
CONECT    3   22   23   37   38                                       
CONECT    4    5   22   39   40                                       
CONECT    5    6    8    4   12                                       
CONECT    6    7    5   41   42                                       
CONECT    7   29    6   43   44                                       
CONECT    8    1    5   28   28                                       
CONECT    9   34   34   35   45                                       
CONECT   10   33   33   34   46                                       
CONECT   11   33   32   32   47                                       
CONECT   12    5   13   13   23                                       
CONECT   13   12   12   26   48                                       
CONECT   14   17   19   49   50                                       
CONECT   15   18   17   51   52                                       
CONECT   16   17    2    2    2                                       
CONECT   17   18   15   14   16                                       
CONECT   18   15   17   53   54                                       
CONECT   19   21   21   14   22                                       
CONECT   19   20   20                                                 
CONECT   20   19   19                                                 
CONECT   21   19   19                                                 
CONECT   22    4   19    3                                            
CONECT   23   12    3   24   24                                       
CONECT   24   23   23   25   55                                       
CONECT   25   26   26   24   56                                       
CONECT   26   13   27   25   25                                       
CONECT   27   26                                                      
CONECT   28    8    8                                                 
CONECT   29    7    1   57   58                                       
CONECT   30   31   31   36    1                                       
CONECT   31   34   32   30   30                                       
CONECT   32   11   11   31   59                                       
CONECT   33   10   10   11   60                                       
CONECT   34   10    9    9   31                                       
CONECT   35    9   36   36                                            
CONECT   36   35   35   30   61                                       
CONECT   37    3                                                      
CONECT   38    3                                                      
CONECT   39    4                                                      
CONECT   40    4                                                      
CONECT   41    6                                                      
CONECT   42    6                                                      
CONECT   43    7                                                      
CONECT   44    7                                                      
CONECT   45    9                                                      
CONECT   46   10                                                      
CONECT   47   11                                                      
CONECT   48   13                                                      
CONECT   49   14                                                      
CONECT   50   14                                                      
CONECT   51   15                                                      
CONECT   52   15                                                      
CONECT   53   18                                                      
CONECT   54   18                                                      
CONECT   55   24                                                      
CONECT   56   25                                                      
CONECT   57   29                                                      
CONECT   58   29                                                      
CONECT   59   32                                                      
CONECT   60   33                                                      
CONECT   61   36                                                      
MASTER        0    0    0    0    0    0    0    0   61    0   61    0
END
