COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.960   2.167  -0.473  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.762   2.104   1.327  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.702   2.094   0.223  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.308   2.126   0.854  1.00  0.00           C  
HETATM    5  C   UNL     1       0.751   2.116  -0.249  1.00  0.00           C  
HETATM    6  C   UNL     1       3.504   2.138  -0.943  1.00  0.00           C  
HETATM    7  C   UNL     1     -10.270  -0.515  -0.684  1.00  0.00           C  
HETATM    8  C   UNL     1      -7.105   0.840   0.821  1.00  0.00           C  
HETATM    9  C   UNL     1      -8.360   0.811   0.217  1.00  0.00           C  
HETATM   10  C   UNL     1      -9.014  -0.487  -0.080  1.00  0.00           C  
HETATM   11  C   UNL     1      -8.375  -1.682   0.244  1.00  0.00           C  
HETATM   12  C   UNL     1      -8.988  -2.887  -0.035  1.00  0.00           C  
HETATM   13  C   UNL     1     -10.235  -2.909  -0.635  1.00  0.00           C  
HETATM   14  C   UNL     1     -10.877  -1.724  -0.954  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.145   2.082   1.753  1.00  0.00           C  
HETATM   16  C   UNL     1      -6.501   2.050   1.096  1.00  0.00           C  
HETATM   17  C   UNL     1      -7.137   3.233   0.768  1.00  0.00           C  
HETATM   18  C   UNL     1      -8.381   3.211   0.164  1.00  0.00           C  
HETATM   19  C   UNL     1      -8.999   2.007  -0.106  1.00  0.00           C  
HETATM   20  C   UNL     1       8.166  -1.349   0.328  1.00  0.00           C  
HETATM   21  C   UNL     1       5.902   2.262  -1.690  1.00  0.00           C  
HETATM   22  C   UNL     1       6.799   1.006  -1.573  1.00  0.00           C  
HETATM   23  C   UNL     1       6.657   0.643  -0.073  1.00  0.00           C  
HETATM   24  C   UNL     1       6.007  -1.781   0.198  1.00  0.00           C  
HETATM   25  C   UNL     1       7.937  -2.726   0.490  1.00  0.00           C  
HETATM   26 CL   UNL     1     -11.001  -4.428  -0.984  1.00  0.00          Cl  
HETATM   27  N   UNL     1      -4.100   2.073   0.721  1.00  0.00           N  
HETATM   28  S   UNL     1       2.403   2.155   0.499  1.00  0.00           S  
HETATM   29  O   UNL     1       6.692   3.450  -1.619  1.00  0.00           O  
HETATM   30  O   UNL     1       8.156   1.317  -1.896  1.00  0.00           O  
HETATM   31  O   UNL     1       5.276   0.947   0.217  1.00  0.00           O  
HETATM   32  N   UNL     1       6.931  -0.780   0.142  1.00  0.00           N  
HETATM   33  N   UNL     1       9.413  -0.892   0.375  1.00  0.00           N  
HETATM   34  C   UNL     1      10.422  -1.715   0.571  1.00  0.00           C  
HETATM   35  N   UNL     1      10.256  -3.015   0.728  1.00  0.00           N  
HETATM   36  N   UNL     1       6.599  -2.922   0.401  1.00  0.00           N  
HETATM   37  C   UNL     1       9.046  -3.564   0.697  1.00  0.00           C  
HETATM   38  N   UNL     1       8.882  -4.928   0.863  1.00  0.00           N  
HETATM   39  H   UNL     1       5.122   3.019   0.187  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.631   1.230   1.964  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.655   3.009   1.926  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.809   1.190  -0.375  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.833   2.969  -0.414  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.201   3.031   1.453  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.178   1.252   1.491  1.00  0.00           H  
HETATM   46  H   UNL     1       0.644   1.212  -0.848  1.00  0.00           H  
HETATM   47  H   UNL     1       0.621   2.991  -0.886  1.00  0.00           H  
HETATM   48  H   UNL     1       3.305   3.012  -1.563  1.00  0.00           H  
HETATM   49  H   UNL     1       3.328   1.233  -1.524  1.00  0.00           H  
HETATM   50  H   UNL     1     -10.769   0.409  -0.937  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.607  -0.084   1.077  1.00  0.00           H  
HETATM   52  H   UNL     1      -7.402  -1.666   0.711  1.00  0.00           H  
HETATM   53  H   UNL     1      -8.494  -3.814   0.216  1.00  0.00           H  
HETATM   54  H   UNL     1     -11.850  -1.747  -1.421  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.055   2.987   2.355  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.031   1.207   2.393  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.661   4.178   0.985  1.00  0.00           H  
HETATM   58  H   UNL     1      -8.874   4.138  -0.090  1.00  0.00           H  
HETATM   59  H   UNL     1      -9.970   1.991  -0.578  1.00  0.00           H  
HETATM   60  H   UNL     1       5.330   2.237  -2.617  1.00  0.00           H  
HETATM   61  H   UNL     1       6.425   0.200  -2.205  1.00  0.00           H  
HETATM   62  H   UNL     1       7.321   1.257   0.535  1.00  0.00           H  
HETATM   63  H   UNL     1       4.941  -1.646   0.090  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.202   1.277   0.110  1.00  0.00           H  
HETATM   65  H   UNL     1       7.303   3.560  -2.360  1.00  0.00           H  
HETATM   66  H   UNL     1       8.281   1.636  -2.801  1.00  0.00           H  
HETATM   67  H   UNL     1      11.423  -1.311   0.603  1.00  0.00           H  
HETATM   68  H   UNL     1       7.994  -5.316   0.838  1.00  0.00           H  
HETATM   69  H   UNL     1       9.656  -5.496   1.005  1.00  0.00           H  
CONECT    1    6   31   21   39                                       
CONECT    2   27    3   40   41                                       
CONECT    3    2    4   42   43                                       
CONECT    4    3    5   44   45                                       
CONECT    5    4   28   46   47                                       
CONECT    6   28    1   48   49                                       
CONECT    7   14   14   10   50                                       
CONECT    8    9    9   16   51                                       
CONECT    9   19   10    8    8                                       
CONECT   10    7    9   11   11                                       
CONECT   11   10   10   12   52                                       
CONECT   12   13   13   11   53                                       
CONECT   13   14   26   12   12                                       
CONECT   14    7    7   13   54                                       
CONECT   15   16   27   55   56                                       
CONECT   16   17   17    8   15                                       
CONECT   17   18   16   16   57                                       
CONECT   18   19   19   17   58                                       
CONECT   19   18   18    9   59                                       
CONECT   20   25   32   33   33                                       
CONECT   21    1   22   29   60                                       
CONECT   22   21   23   30   61                                       
CONECT   23   31   32   22   62                                       
CONECT   24   36   36   32   63                                       
CONECT   25   36   37   37   20                                       
CONECT   26   13                                                      
CONECT   27   15    2   64                                            
CONECT   28    5    6                                                 
CONECT   29   21   65                                                 
CONECT   30   22   66                                                 
CONECT   31    1   23                                                 
CONECT   32   24   23   20                                            
CONECT   33   20   20   34                                            
CONECT   34   35   35   33   67                                       
CONECT   35   37   34   34                                            
CONECT   36   24   24   25                                            
CONECT   37   38   25   25   35                                       
CONECT   38   37   68   69                                            
CONECT   39    1                                                      
CONECT   40    2                                                      
CONECT   41    2                                                      
CONECT   42    3                                                      
CONECT   43    3                                                      
CONECT   44    4                                                      
CONECT   45    4                                                      
CONECT   46    5                                                      
CONECT   47    5                                                      
CONECT   48    6                                                      
CONECT   49    6                                                      
CONECT   50    7                                                      
CONECT   51    8                                                      
CONECT   52   11                                                      
CONECT   53   12                                                      
CONECT   54   14                                                      
CONECT   55   15                                                      
CONECT   56   15                                                      
CONECT   57   17                                                      
CONECT   58   18                                                      
CONECT   59   19                                                      
CONECT   60   21                                                      
CONECT   61   22                                                      
CONECT   62   23                                                      
CONECT   63   24                                                      
CONECT   64   27                                                      
CONECT   65   29                                                      
CONECT   66   30                                                      
CONECT   67   34                                                      
CONECT   68   38                                                      
CONECT   69   38                                                      
MASTER        0    0    0    0    0    0    0    0   69    0   69    0
END
