COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1     -10.570  -1.646   0.294  1.00  0.00           O  
HETATM    2  C   UNL     1      -9.778  -0.562   0.414  1.00  0.00           C  
HETATM    3  O   UNL     1     -10.260   0.512   0.720  1.00  0.00           O  
HETATM    4  C   UNL     1      -8.329  -0.677   0.175  1.00  0.00           C  
HETATM    5  C   UNL     1      -7.770  -1.913  -0.184  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.437  -2.028  -0.406  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.583  -0.908  -0.282  1.00  0.00           C  
HETATM    8  N   UNL     1      -4.253  -0.844  -0.464  1.00  0.00           N  
HETATM    9  C   UNL     1      -7.507   0.442   0.298  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.142   0.326   0.076  1.00  0.00           C  
HETATM   11  S   UNL     1      -4.851   1.522   0.152  1.00  0.00           S  
HETATM   12  C   UNL     1      -3.672   0.297  -0.295  1.00  0.00           C  
HETATM   13  N   UNL     1      -2.321   0.521  -0.443  1.00  0.00           N  
HETATM   14  C   UNL     1      -1.748   1.106   0.776  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.620  -0.712  -0.821  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.152  -0.397  -1.116  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.071   0.612  -2.264  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.827   1.885  -1.877  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.203   2.488  -0.617  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.283   1.474   0.527  1.00  0.00           C  
HETATM   21  C   UNL     1       0.492   0.212   0.134  1.00  0.00           C  
HETATM   22  O   UNL     1       1.851   0.552  -0.145  1.00  0.00           O  
HETATM   23  C   UNL     1       2.714   0.476   0.992  1.00  0.00           C  
HETATM   24  C   UNL     1       4.115   0.853   0.585  1.00  0.00           C  
HETATM   25  C   UNL     1       4.648   2.092   0.481  1.00  0.00           C  
HETATM   26  C   UNL     1       3.948   3.398   0.755  1.00  0.00           C  
HETATM   27  C   UNL     1       3.847   4.400  -0.396  1.00  0.00           C  
HETATM   28  C   UNL     1       4.802   4.668   0.768  1.00  0.00           C  
HETATM   29  O   UNL     1       5.920   1.932   0.088  1.00  0.00           O  
HETATM   30  C   UNL     1       5.187  -0.012   0.226  1.00  0.00           C  
HETATM   31  N   UNL     1       6.204   0.766  -0.053  1.00  0.00           N  
HETATM   32  C   UNL     1       5.157  -1.494   0.174  1.00  0.00           C  
HETATM   33  C   UNL     1       5.454  -2.159  -1.015  1.00  0.00           C  
HETATM   34 CL   UNL     1       5.854  -1.254  -2.441  1.00  0.00          Cl  
HETATM   35  C   UNL     1       5.430  -3.540  -1.055  1.00  0.00           C  
HETATM   36  C   UNL     1       5.112  -4.262   0.081  1.00  0.00           C  
HETATM   37  C   UNL     1       4.817  -3.608   1.263  1.00  0.00           C  
HETATM   38  C   UNL     1       4.838  -2.228   1.316  1.00  0.00           C  
HETATM   39 CL   UNL     1       4.473  -1.409   2.803  1.00  0.00          Cl  
HETATM   40  H   UNL     1     -11.514  -1.521   0.461  1.00  0.00           H  
HETATM   41  H   UNL     1      -8.407  -2.779  -0.283  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.023  -2.987  -0.681  1.00  0.00           H  
HETATM   43  H   UNL     1      -7.931   1.397   0.569  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.306   2.003   1.046  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.808   0.383   1.589  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.681  -1.430  -0.003  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.086  -1.136  -1.711  1.00  0.00           H  
HETATM   48  H   UNL     1       0.372  -1.313  -1.388  1.00  0.00           H  
HETATM   49  H   UNL     1       0.973   0.855  -2.462  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.520   0.181  -3.159  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.766   2.605  -2.693  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.872   1.642  -1.684  1.00  0.00           H  
HETATM   53  H   UNL     1       0.840   2.736  -0.811  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.746   3.392  -0.340  1.00  0.00           H  
HETATM   55  H   UNL     1       0.145   1.908   1.431  1.00  0.00           H  
HETATM   56  H   UNL     1       0.454  -0.509   0.951  1.00  0.00           H  
HETATM   57  H   UNL     1       2.362   1.163   1.762  1.00  0.00           H  
HETATM   58  H   UNL     1       2.711  -0.541   1.384  1.00  0.00           H  
HETATM   59  H   UNL     1       3.112   3.346   1.452  1.00  0.00           H  
HETATM   60  H   UNL     1       4.286   4.115  -1.352  1.00  0.00           H  
HETATM   61  H   UNL     1       2.944   5.008  -0.457  1.00  0.00           H  
HETATM   62  H   UNL     1       4.527   5.451   1.475  1.00  0.00           H  
HETATM   63  H   UNL     1       5.870   4.558   0.579  1.00  0.00           H  
HETATM   64  H   UNL     1       5.660  -4.056  -1.975  1.00  0.00           H  
HETATM   65  H   UNL     1       5.095  -5.342   0.045  1.00  0.00           H  
HETATM   66  H   UNL     1       4.569  -4.178   2.147  1.00  0.00           H  
CONECT    1    2   40                                                 
CONECT    2    3    3    1    4                                       
CONECT    3    2    2                                                 
CONECT    4    5    2    9    9                                       
CONECT    5    6    6    4   41                                       
CONECT    6    5    5    7   42                                       
CONECT    7    6    8   10   10                                       
CONECT    8    7   12   12                                            
CONECT    9    4    4   10   43                                       
CONECT   10    7    7    9   11                                       
CONECT   11   10   12                                                 
CONECT   12    8    8   11   13                                       
CONECT   13   12   14   15                                            
CONECT   14   13   20   44   45                                       
CONECT   15   13   16   46   47                                       
CONECT   16   17   15   21   48                                       
CONECT   17   18   16   49   50                                       
CONECT   18   19   17   51   52                                       
CONECT   19   18   20   53   54                                       
CONECT   20   19   14   21   55                                       
CONECT   21   20   16   22   56                                       
CONECT   22   21   23                                                 
CONECT   23   22   24   57   58                                       
CONECT   24   23   30   25   25                                       
CONECT   25   24   24   29   26                                       
CONECT   26   25   27   28   59                                       
CONECT   27   26   28   60   61                                       
CONECT   28   26   27   62   63                                       
CONECT   29   31   25                                                 
CONECT   30   32   24   31   31                                       
CONECT   31   30   30   29                                            
CONECT   32   33   33   38   30                                       
CONECT   33   35   34   32   32                                       
CONECT   34   33                                                      
CONECT   35   36   36   33   64                                       
CONECT   36   35   35   37   65                                       
CONECT   37   36   38   38   66                                       
CONECT   38   37   37   32   39                                       
CONECT   39   38                                                      
CONECT   40    1                                                      
CONECT   41    5                                                      
CONECT   42    6                                                      
CONECT   43    9                                                      
CONECT   44   14                                                      
CONECT   45   14                                                      
CONECT   46   15                                                      
CONECT   47   15                                                      
CONECT   48   16                                                      
CONECT   49   17                                                      
CONECT   50   17                                                      
CONECT   51   18                                                      
CONECT   52   18                                                      
CONECT   53   19                                                      
CONECT   54   19                                                      
CONECT   55   20                                                      
CONECT   56   21                                                      
CONECT   57   23                                                      
CONECT   58   23                                                      
CONECT   59   26                                                      
CONECT   60   27                                                      
CONECT   61   27                                                      
CONECT   62   28                                                      
CONECT   63   28                                                      
CONECT   64   35                                                      
CONECT   65   36                                                      
CONECT   66   37                                                      
MASTER        0    0    0    0    0    0    0    0   66    0   66    0
END
