COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.698  -0.136  -1.189  1.00  0.00           C  
HETATM    2  C   UNL     1       2.862   1.684  -2.322  1.00  0.00           C  
HETATM    3  C   UNL     1       4.019   2.041  -1.486  1.00  0.00           C  
HETATM    4  C   UNL     1       4.943   2.326  -0.820  1.00  0.00           C  
HETATM    5  C   UNL     1       6.069   2.673  -0.006  1.00  0.00           C  
HETATM    6  C   UNL     1       7.262   3.174  -0.449  1.00  0.00           C  
HETATM    7  C   UNL     1       9.417   3.885   0.612  1.00  0.00           C  
HETATM    8  C   UNL     1       6.149   2.567   1.398  1.00  0.00           C  
HETATM    9  C   UNL     1       0.862   2.048  -0.965  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.275   0.363   0.125  1.00  0.00           C  
HETATM   11  C   UNL     1       0.640  -0.576  -0.365  1.00  0.00           C  
HETATM   12  C   UNL     1       0.212  -1.880   0.159  1.00  0.00           C  
HETATM   13  C   UNL     1       0.859  -3.185  -0.079  1.00  0.00           C  
HETATM   14  C   UNL     1       0.354  -4.285   0.465  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.899  -1.645   0.907  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.316   0.313   1.582  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.480   0.445   0.633  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.683   1.196   0.157  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.906   0.307  -0.892  1.00  0.00           C  
HETATM   20  C   UNL     1      -6.956   0.539  -1.757  1.00  0.00           C  
HETATM   21  C   UNL     1      -7.565   2.452  -0.619  1.00  0.00           C  
HETATM   22  C   UNL     1      -6.538   2.292   0.288  1.00  0.00           C  
HETATM   23  N   UNL     1       1.780   1.184  -1.470  1.00  0.00           N  
HETATM   24  N   UNL     1       8.048   3.364   0.630  1.00  0.00           N  
HETATM   25  N   UNL     1       7.332   2.979   1.769  1.00  0.00           N  
HETATM   26  N   UNL     1      -0.119   1.656  -0.204  1.00  0.00           N  
HETATM   27  N   UNL     1       1.699  -6.379   1.639  1.00  0.00           N  
HETATM   28  N   UNL     1      -1.187  -0.310   0.886  1.00  0.00           N  
HETATM   29  N   UNL     1      -4.635   0.994   1.057  1.00  0.00           N  
HETATM   30  N   UNL     1      -7.743   1.587  -1.600  1.00  0.00           N  
HETATM   31  O   UNL     1       2.517  -0.923  -1.631  1.00  0.00           O  
HETATM   32  O   UNL     1       0.092  -6.741  -0.199  1.00  0.00           O  
HETATM   33  O   UNL     1       2.266  -5.584  -0.627  1.00  0.00           O  
HETATM   34  O   UNL     1      -3.376   0.057  -0.511  1.00  0.00           O  
HETATM   35  S   UNL     1       1.126  -5.843   0.181  1.00  0.00           S  
HETATM   36 CL   UNL     1      -6.312   3.435   1.574  1.00  0.00          Cl  
HETATM   37  H   UNL     1       2.519   2.566  -2.864  1.00  0.00           H  
HETATM   38  H   UNL     1       3.151   0.910  -3.033  1.00  0.00           H  
HETATM   39  H   UNL     1       7.526   3.379  -1.475  1.00  0.00           H  
HETATM   40  H   UNL     1      10.120   3.058   0.512  1.00  0.00           H  
HETATM   41  H   UNL     1       9.536   4.567  -0.230  1.00  0.00           H  
HETATM   42  H   UNL     1       9.615   4.419   1.542  1.00  0.00           H  
HETATM   43  H   UNL     1       5.367   2.209   2.052  1.00  0.00           H  
HETATM   44  H   UNL     1       0.949   3.098  -1.204  1.00  0.00           H  
HETATM   45  H   UNL     1       1.744  -3.245  -0.696  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.531  -4.226   1.081  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.467  -2.397   1.435  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.023   1.301   1.937  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.607  -0.307   2.430  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.266  -0.552  -1.026  1.00  0.00           H  
HETATM   51  H   UNL     1      -7.136  -0.145  -2.573  1.00  0.00           H  
HETATM   52  H   UNL     1      -8.232   3.297  -0.526  1.00  0.00           H  
HETATM   53  H   UNL     1       2.162  -7.230   1.695  1.00  0.00           H  
HETATM   54  H   UNL     1       1.571  -5.843   2.437  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.739   1.249   1.987  1.00  0.00           H  
CONECT    1   23   31   31   11                                       
CONECT    2    3   23   37   38                                       
CONECT    3    4    4    4    2                                       
CONECT    4    5    3    3    3                                       
CONECT    5    6    6    8    4                                       
CONECT    6   24    5    5   39                                       
CONECT    7   24   40   41   42                                       
CONECT    8   25   25    5   43                                       
CONECT    9   23   26   26   44                                       
CONECT   10   26   11   11   28                                       
CONECT   11    1   10   10   12                                       
CONECT   12   11   13   15   15                                       
CONECT   13   12   14   14   45                                       
CONECT   14   13   13   35   46                                       
CONECT   15   12   12   28   47                                       
CONECT   16   28   17   48   49                                       
CONECT   17   16   34   34   29                                       
CONECT   18   29   19   19   22                                       
CONECT   19   18   18   20   50                                       
CONECT   20   19   30   30   51                                       
CONECT   21   22   22   30   52                                       
CONECT   22   18   21   21   36                                       
CONECT   23    2    9    1                                            
CONECT   24    7   25    6                                            
CONECT   25   24    8    8                                            
CONECT   26    9    9   10                                            
CONECT   27   35   53   54                                            
CONECT   28   10   15   16                                            
CONECT   29   17   18   55                                            
CONECT   30   20   20   21                                            
CONECT   31    1    1                                                 
CONECT   32   35   35                                                 
CONECT   33   35   35                                                 
CONECT   34   17   17                                                 
CONECT   35   32   32   14   27                                       
CONECT   35   33   33                                                 
CONECT   36   22                                                      
CONECT   37    2                                                      
CONECT   38    2                                                      
CONECT   39    6                                                      
CONECT   40    7                                                      
CONECT   41    7                                                      
CONECT   42    7                                                      
CONECT   43    8                                                      
CONECT   44    9                                                      
CONECT   45   13                                                      
CONECT   46   14                                                      
CONECT   47   15                                                      
CONECT   48   16                                                      
CONECT   49   16                                                      
CONECT   50   19                                                      
CONECT   51   20                                                      
CONECT   52   21                                                      
CONECT   53   27                                                      
CONECT   54   27                                                      
CONECT   55   29                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
