COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       3.437  -0.335   0.451  1.00  0.00           N  
HETATM    2  N   UNL     1      -3.862  -0.136   1.754  1.00  0.00           N  
HETATM    3  C   UNL     1       2.335  -0.119   1.195  1.00  0.00           C  
HETATM    4  C   UNL     1       3.740  -1.625   0.009  1.00  0.00           C  
HETATM    5  C   UNL     1       2.737  -2.508  -0.331  1.00  0.00           C  
HETATM    6  C   UNL     1       4.230  -4.194  -0.874  1.00  0.00           C  
HETATM    7  C   UNL     1       5.326  -3.375  -0.559  1.00  0.00           C  
HETATM    8  C   UNL     1       7.676  -2.988  -0.362  1.00  0.00           C  
HETATM    9  C   UNL     1       5.081  -2.053  -0.105  1.00  0.00           C  
HETATM   10  C   UNL     1       0.719   2.705   0.184  1.00  0.00           C  
HETATM   11  C   UNL     1       1.815   4.037  -1.487  1.00  0.00           C  
HETATM   12  C   UNL     1       3.043   3.572  -1.050  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.870  -0.426   0.825  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.540  -1.020  -0.392  1.00  0.00           C  
HETATM   15  C   UNL     1      -6.181  -0.128   1.124  1.00  0.00           C  
HETATM   16  C   UNL     1      -6.857  -1.016  -1.017  1.00  0.00           C  
HETATM   17 CL   UNL     1       4.502   4.115  -1.818  1.00  0.00          Cl  
HETATM   18  C   UNL     1       0.658   3.604  -0.871  1.00  0.00           C  
HETATM   19  C   UNL     1       3.105   2.675  -0.001  1.00  0.00           C  
HETATM   20  C   UNL     1       1.942   2.239   0.617  1.00  0.00           C  
HETATM   21  C   UNL     1       2.058   1.254   1.751  1.00  0.00           C  
HETATM   22  O   UNL     1       1.565  -1.030   1.418  1.00  0.00           O  
HETATM   23  C   UNL     1       6.161  -1.220   0.214  1.00  0.00           C  
HETATM   24  C   UNL     1       7.433  -1.690   0.083  1.00  0.00           C  
HETATM   25  C   UNL     1       6.650  -3.827  -0.676  1.00  0.00           C  
HETATM   26  N   UNL     1       3.007  -3.735  -0.752  1.00  0.00           N  
HETATM   27  C   UNL     1       0.755   1.224   2.551  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.570   2.270   0.830  1.00  0.00           C  
HETATM   29  N   UNL     1      -0.365   1.047   1.613  1.00  0.00           N  
HETATM   30  C   UNL     1      -1.592   0.666   2.325  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.645   0.256   1.327  1.00  0.00           C  
HETATM   32  O   UNL     1      -2.397   0.280   0.140  1.00  0.00           O  
HETATM   33  C   UNL     1      -7.204  -0.421   0.200  1.00  0.00           C  
HETATM   34  N   UNL     1      -8.532  -0.218   0.297  1.00  0.00           N  
HETATM   35  C   UNL     1      -9.265  -0.578  -0.687  1.00  0.00           C  
HETATM   36  S   UNL     1      -8.335  -1.261  -1.944  1.00  0.00           S  
HETATM   37  C   UNL     1      -5.525  -1.307  -1.307  1.00  0.00           C  
HETATM   38  H   UNL     1       4.018   0.406   0.218  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.039  -0.218   2.704  1.00  0.00           H  
HETATM   40  H   UNL     1       1.707  -2.192  -0.253  1.00  0.00           H  
HETATM   41  H   UNL     1       4.394  -5.203  -1.221  1.00  0.00           H  
HETATM   42  H   UNL     1       8.694  -3.335  -0.457  1.00  0.00           H  
HETATM   43  H   UNL     1       1.762   4.737  -2.307  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.510  -1.254  -0.616  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.426   0.331   2.070  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.300   3.967  -1.212  1.00  0.00           H  
HETATM   47  H   UNL     1       4.063   2.312   0.340  1.00  0.00           H  
HETATM   48  H   UNL     1       2.876   1.551   2.407  1.00  0.00           H  
HETATM   49  H   UNL     1       5.986  -0.212   0.560  1.00  0.00           H  
HETATM   50  H   UNL     1       8.265  -1.047   0.329  1.00  0.00           H  
HETATM   51  H   UNL     1       6.854  -4.830  -1.019  1.00  0.00           H  
HETATM   52  H   UNL     1       0.777   0.394   3.256  1.00  0.00           H  
HETATM   53  H   UNL     1       0.635   2.164   3.091  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.928   3.062   1.488  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.314   2.081   0.057  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.380  -0.169   2.993  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.954   1.514   2.907  1.00  0.00           H  
HETATM   58  H   UNL     1     -10.339  -0.464  -0.719  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.267  -1.767  -2.250  1.00  0.00           H  
CONECT    1    4    3   38                                            
CONECT    2   13   31   39                                            
CONECT    3    1   21   22   22                                       
CONECT    4    9    9    5    1                                       
CONECT    5   26   26    4   40                                       
CONECT    6    7    7   26   41                                       
CONECT    7   25    6    6    9                                       
CONECT    8   25   25   24   42                                       
CONECT    9    7   23    4    4                                       
CONECT   10   20   28   18   18                                       
CONECT   11   12   12   18   43                                       
CONECT   12   19   17   11   11                                       
CONECT   13   15   15   14    2                                       
CONECT   14   37   37   13   44                                       
CONECT   15   33   13   13   45                                       
CONECT   16   36   33   33   37                                       
CONECT   17   12                                                      
CONECT   18   10   10   11   46                                       
CONECT   19   20   20   12   47                                       
CONECT   20   21   19   19   10                                       
CONECT   21    3   27   20   48                                       
CONECT   22    3    3                                                 
CONECT   23   24   24    9   49                                       
CONECT   24    8   23   23   50                                       
CONECT   25    8    8    7   51                                       
CONECT   26    6    5    5                                            
CONECT   27   21   29   52   53                                       
CONECT   28   29   10   54   55                                       
CONECT   29   27   30   28                                            
CONECT   30   31   29   56   57                                       
CONECT   31   32   32    2   30                                       
CONECT   32   31   31                                                 
CONECT   33   34   16   16   15                                       
CONECT   34   35   35   33                                            
CONECT   35   34   34   36   58                                       
CONECT   36   35   16                                                 
CONECT   37   16   14   14   59                                       
CONECT   38    1                                                      
CONECT   39    2                                                      
CONECT   40    5                                                      
CONECT   41    6                                                      
CONECT   42    8                                                      
CONECT   43   11                                                      
CONECT   44   14                                                      
CONECT   45   15                                                      
CONECT   46   18                                                      
CONECT   47   19                                                      
CONECT   48   21                                                      
CONECT   49   23                                                      
CONECT   50   24                                                      
CONECT   51   25                                                      
CONECT   52   27                                                      
CONECT   53   27                                                      
CONECT   54   28                                                      
CONECT   55   28                                                      
CONECT   56   30                                                      
CONECT   57   30                                                      
CONECT   58   35                                                      
CONECT   59   37                                                      
MASTER        0    0    0    0    0    0    0    0   59    0   59    0
END
