COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.142  -0.819   1.693  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.410  -1.297   0.264  1.00  0.00           C  
HETATM    3  N   UNL     1      -2.257  -2.059  -0.220  1.00  0.00           N  
HETATM    4  C   UNL     1      -2.312  -3.462  -0.648  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.846  -3.951  -0.647  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.072  -2.628  -0.852  1.00  0.00           C  
HETATM    7  N   UNL     1       1.172  -2.637  -0.080  1.00  0.00           N  
HETATM    8  C   UNL     1       1.139  -2.908   1.359  1.00  0.00           C  
HETATM    9  C   UNL     1       1.218  -4.395   1.592  1.00  0.00           C  
HETATM   10  N   UNL     1       1.081  -4.890   2.838  1.00  0.00           N  
HETATM   11  O   UNL     1       1.405  -5.146   0.658  1.00  0.00           O  
HETATM   12  S   UNL     1       2.617  -2.341  -0.834  1.00  0.00           S  
HETATM   13  O   UNL     1       3.621  -2.939  -0.026  1.00  0.00           O  
HETATM   14  O   UNL     1       2.427  -2.663  -2.205  1.00  0.00           O  
HETATM   15  C   UNL     1       2.894  -0.602  -0.765  1.00  0.00           C  
HETATM   16  C   UNL     1       2.418   0.210  -1.793  1.00  0.00           C  
HETATM   17  C   UNL     1       2.614   1.557  -1.771  1.00  0.00           C  
HETATM   18  C   UNL     1       3.307   2.140  -0.696  1.00  0.00           C  
HETATM   19  C   UNL     1       3.529   3.526  -0.638  1.00  0.00           C  
HETATM   20  C   UNL     1       4.205   4.057   0.419  1.00  0.00           C  
HETATM   21 CL   UNL     1       4.477   5.770   0.488  1.00  0.00          Cl  
HETATM   22  C   UNL     1       4.681   3.244   1.447  1.00  0.00           C  
HETATM   23  C   UNL     1       4.485   1.897   1.423  1.00  0.00           C  
HETATM   24  C   UNL     1       3.792   1.314   0.349  1.00  0.00           C  
HETATM   25  C   UNL     1       3.565  -0.071   0.293  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.013  -1.562  -0.335  1.00  0.00           C  
HETATM   27  O   UNL     1      -0.692  -0.425  -0.061  1.00  0.00           O  
HETATM   28  C   UNL     1      -3.636  -0.105  -0.630  1.00  0.00           C  
HETATM   29  O   UNL     1      -2.783   0.228  -1.425  1.00  0.00           O  
HETATM   30  N   UNL     1      -4.787   0.592  -0.546  1.00  0.00           N  
HETATM   31  C   UNL     1      -5.756   0.238   0.510  1.00  0.00           C  
HETATM   32  C   UNL     1      -6.361   1.496   1.157  1.00  0.00           C  
HETATM   33  C   UNL     1      -5.285   2.544   1.333  1.00  0.00           C  
HETATM   34  N   UNL     1      -5.272   3.418   0.160  1.00  0.00           N  
HETATM   35  C   UNL     1      -4.952   4.801   0.538  1.00  0.00           C  
HETATM   36  C   UNL     1      -4.478   2.993  -0.930  1.00  0.00           C  
HETATM   37  C   UNL     1      -5.023   1.664  -1.492  1.00  0.00           C  
HETATM   38  H   UNL     1      -3.111  -1.678   2.363  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.187  -0.295   1.728  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.939  -0.144   2.006  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.296  -1.932   0.254  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.905  -4.047   0.054  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.733  -3.534  -1.651  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.589  -4.409   0.307  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.665  -4.640  -1.472  1.00  0.00           H  
HETATM   46  H   UNL     1       0.137  -2.468  -1.910  1.00  0.00           H  
HETATM   47  H   UNL     1       1.987  -2.419   1.841  1.00  0.00           H  
HETATM   48  H   UNL     1       0.211  -2.523   1.780  1.00  0.00           H  
HETATM   49  H   UNL     1       0.931  -4.289   3.585  1.00  0.00           H  
HETATM   50  H   UNL     1       1.132  -5.847   2.988  1.00  0.00           H  
HETATM   51  H   UNL     1       1.885  -0.236  -2.620  1.00  0.00           H  
HETATM   52  H   UNL     1       2.240   2.173  -2.574  1.00  0.00           H  
HETATM   53  H   UNL     1       3.166   4.168  -1.428  1.00  0.00           H  
HETATM   54  H   UNL     1       5.214   3.689   2.274  1.00  0.00           H  
HETATM   55  H   UNL     1       4.860   1.280   2.226  1.00  0.00           H  
HETATM   56  H   UNL     1       3.925  -0.713   1.084  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.556  -0.359   0.074  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.250  -0.348   1.277  1.00  0.00           H  
HETATM   59  H   UNL     1      -7.150   1.889   0.517  1.00  0.00           H  
HETATM   60  H   UNL     1      -6.778   1.238   2.130  1.00  0.00           H  
HETATM   61  H   UNL     1      -5.494   3.135   2.225  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.315   2.058   1.437  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.968   4.831   1.007  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.949   5.429  -0.353  1.00  0.00           H  
HETATM   65  H   UNL     1      -5.700   5.169   1.239  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.499   3.753  -1.711  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.451   2.849  -0.595  1.00  0.00           H  
HETATM   68  H   UNL     1      -4.519   1.433  -2.431  1.00  0.00           H  
HETATM   69  H   UNL     1      -6.094   1.757  -1.670  1.00  0.00           H  
CONECT    1    2   38   39   40                                       
CONECT    2   28    1    3   41                                       
CONECT    3    2    4   26                                            
CONECT    4    3    5   42   43                                       
CONECT    5    4    6   44   45                                       
CONECT    6   26    5    7   46                                       
CONECT    7    8    6   12                                            
CONECT    8    9    7   47   48                                       
CONECT    9   10    8   11   11                                       
CONECT   10    9   49   50                                            
CONECT   11    9    9                                                 
CONECT   12    7   14   14   15                                       
CONECT   12   13   13                                                 
CONECT   13   12   12                                                 
CONECT   14   12   12                                                 
CONECT   15   16   12   25   25                                       
CONECT   16   17   17   15   51                                       
CONECT   17   16   16   18   52                                       
CONECT   18   17   19   19   24                                       
CONECT   19   18   18   20   53                                       
CONECT   20   19   21   22   22                                       
CONECT   21   20                                                      
CONECT   22   20   20   23   54                                       
CONECT   23   24   24   22   55                                       
CONECT   24   18   25   23   23                                       
CONECT   25   15   15   24   56                                       
CONECT   26    3   27   27    6                                       
CONECT   27   26   26                                                 
CONECT   28   30   29   29    2                                       
CONECT   29   28   28                                                 
CONECT   30   37   31   28                                            
CONECT   31   32   30   57   58                                       
CONECT   32   33   31   59   60                                       
CONECT   33   34   32   61   62                                       
CONECT   34   35   36   33                                            
CONECT   35   34   63   64   65                                       
CONECT   36   34   37   66   67                                       
CONECT   37   36   30   68   69                                       
CONECT   38    1                                                      
CONECT   39    1                                                      
CONECT   40    1                                                      
CONECT   41    2                                                      
CONECT   42    4                                                      
CONECT   43    4                                                      
CONECT   44    5                                                      
CONECT   45    5                                                      
CONECT   46    6                                                      
CONECT   47    8                                                      
CONECT   48    8                                                      
CONECT   49   10                                                      
CONECT   50   10                                                      
CONECT   51   16                                                      
CONECT   52   17                                                      
CONECT   53   19                                                      
CONECT   54   22                                                      
CONECT   55   23                                                      
CONECT   56   25                                                      
CONECT   57   31                                                      
CONECT   58   31                                                      
CONECT   59   32                                                      
CONECT   60   32                                                      
CONECT   61   33                                                      
CONECT   62   33                                                      
CONECT   63   35                                                      
CONECT   64   35                                                      
CONECT   65   35                                                      
CONECT   66   36                                                      
CONECT   67   36                                                      
CONECT   68   37                                                      
CONECT   69   37                                                      
MASTER        0    0    0    0    0    0    0    0   69    0   69    0
END
