COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -0.787  -0.723   0.189  1.00  0.00           N  
HETATM    2  C   UNL     1       1.604  -0.830  -0.297  1.00  0.00           C  
HETATM    3  C   UNL     1       0.277  -1.236  -0.557  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.961  -1.383   0.230  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.096  -0.851   1.067  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.064  -1.990   1.396  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.031  -0.021  -0.322  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.888   2.500  -0.466  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.821   0.228   0.303  1.00  0.00           C  
HETATM   10  C   UNL     1       0.055  -2.152  -1.564  1.00  0.00           C  
HETATM   11  C   UNL     1       3.971  -0.998  -0.849  1.00  0.00           C  
HETATM   12 CL   UNL     1      -3.170   4.078  -0.553  1.00  0.00          Cl  
HETATM   13  C   UNL     1      -5.097   2.254  -1.094  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.667   0.999  -1.023  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.253   1.488   0.229  1.00  0.00           C  
HETATM   16  O   UNL     1      -5.626  -1.241  -0.271  1.00  0.00           O  
HETATM   17  C   UNL     1      -4.825  -2.359   0.116  1.00  0.00           C  
HETATM   18  O   UNL     1      -2.576  -0.304   2.281  1.00  0.00           O  
HETATM   19  C   UNL     1      -1.853  -1.244   3.079  1.00  0.00           C  
HETATM   20  O   UNL     1      -2.105  -2.406  -0.406  1.00  0.00           O  
HETATM   21  N   UNL     1       1.053  -2.650  -2.281  1.00  0.00           N  
HETATM   22  C   UNL     1       2.306  -2.312  -2.088  1.00  0.00           C  
HETATM   23  C   UNL     1       2.642  -1.386  -1.088  1.00  0.00           C  
HETATM   24  C   UNL     1       1.919   0.091   0.710  1.00  0.00           C  
HETATM   25  C   UNL     1       3.219   0.445   0.914  1.00  0.00           C  
HETATM   26  C   UNL     1       4.240  -0.096   0.134  1.00  0.00           C  
HETATM   27  S   UNL     1       5.908   0.389   0.433  1.00  0.00           S  
HETATM   28  O   UNL     1       5.958   0.849   1.776  1.00  0.00           O  
HETATM   29  O   UNL     1       6.726  -0.665  -0.058  1.00  0.00           O  
HETATM   30  N   UNL     1       6.215   1.704  -0.525  1.00  0.00           N  
HETATM   31  C   UNL     1       5.497   2.961  -0.295  1.00  0.00           C  
HETATM   32  H   UNL     1      -0.679   0.106   0.680  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.507  -2.855   1.754  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.769  -1.663   2.161  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.955  -2.471  -1.773  1.00  0.00           H  
HETATM   36  H   UNL     1       4.773  -1.413  -1.442  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.593   3.043  -1.639  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.610   0.808  -1.513  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.310   1.682   0.718  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.116  -2.594  -0.678  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.465  -3.221   0.304  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.522  -2.046   3.391  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.033  -1.661   2.496  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.453  -0.741   3.960  1.00  0.00           H  
HETATM   45  H   UNL     1       3.081  -2.748  -2.701  1.00  0.00           H  
HETATM   46  H   UNL     1       1.137   0.519   1.321  1.00  0.00           H  
HETATM   47  H   UNL     1       3.462   1.155   1.690  1.00  0.00           H  
HETATM   48  H   UNL     1       6.870   1.643  -1.237  1.00  0.00           H  
HETATM   49  H   UNL     1       4.426   2.793  -0.413  1.00  0.00           H  
HETATM   50  H   UNL     1       5.700   3.316   0.715  1.00  0.00           H  
HETATM   51  H   UNL     1       5.829   3.706  -1.018  1.00  0.00           H  
CONECT    1    3    4   32                                            
CONECT    2   23   23   24    3                                       
CONECT    3    2   10   10    1                                       
CONECT    4    1    5   20   20                                       
CONECT    5   18    4    6    9                                       
CONECT    6    5   17   33   34                                       
CONECT    7    9   16   14   14                                       
CONECT    8   15   12   13   13                                       
CONECT    9    5   15   15    7                                       
CONECT   10   21    3    3   35                                       
CONECT   11   26   26   23   36                                       
CONECT   12    8                                                      
CONECT   13    8    8   14   37                                       
CONECT   14    7    7   13   38                                       
CONECT   15    9    9    8   39                                       
CONECT   16   17    7                                                 
CONECT   17    6   16   40   41                                       
CONECT   18   19    5                                                 
CONECT   19   18   42   43   44                                       
CONECT   20    4    4                                                 
CONECT   21   22   22   10                                            
CONECT   22   23   21   21   45                                       
CONECT   23   11   22    2    2                                       
CONECT   24   25   25    2   46                                       
CONECT   25   26   24   24   47                                       
CONECT   26   27   11   11   25                                       
CONECT   27   29   29   28   28                                       
CONECT   27   26   30                                                 
CONECT   28   27   27                                                 
CONECT   29   27   27                                                 
CONECT   30   27   31   48                                            
CONECT   31   30   49   50   51                                       
CONECT   32    1                                                      
CONECT   33    6                                                      
CONECT   34    6                                                      
CONECT   35   10                                                      
CONECT   36   11                                                      
CONECT   37   13                                                      
CONECT   38   14                                                      
CONECT   39   15                                                      
CONECT   40   17                                                      
CONECT   41   17                                                      
CONECT   42   19                                                      
CONECT   43   19                                                      
CONECT   44   19                                                      
CONECT   45   22                                                      
CONECT   46   24                                                      
CONECT   47   25                                                      
CONECT   48   30                                                      
CONECT   49   31                                                      
CONECT   50   31                                                      
CONECT   51   31                                                      
MASTER        0    0    0    0    0    0    0    0   51    0   51    0
END
