COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.460  -0.985   0.786  1.00  0.00           C  
HETATM    2  C   UNL     1      -7.880  -1.532   0.624  1.00  0.00           C  
HETATM    3  C   UNL     1      -7.817  -2.959   0.077  1.00  0.00           C  
HETATM    4  N   UNL     1      -9.181  -3.484  -0.079  1.00  0.00           N  
HETATM    5  C   UNL     1      -7.115  -2.954  -1.282  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.695  -2.408  -1.120  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.757  -0.980  -0.573  1.00  0.00           C  
HETATM    8  N   UNL     1      -4.397  -0.457  -0.418  1.00  0.00           N  
HETATM    9  C   UNL     1      -4.174   0.909  -0.446  1.00  0.00           C  
HETATM   10  N   UNL     1      -2.939   1.363  -0.304  1.00  0.00           N  
HETATM   11  N   UNL     1      -5.201   1.727  -0.620  1.00  0.00           N  
HETATM   12  C   UNL     1      -5.029   3.040  -0.658  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.755   3.559  -0.514  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.691   2.671  -0.327  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.308   3.178  -0.168  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.045   4.549  -0.202  1.00  0.00           C  
HETATM   17  C   UNL     1       0.265   4.972  -0.048  1.00  0.00           C  
HETATM   18  C   UNL     1       1.264   4.035   0.134  1.00  0.00           C  
HETATM   19  N   UNL     1       0.992   2.744   0.162  1.00  0.00           N  
HETATM   20  C   UNL     1      -0.242   2.290   0.025  1.00  0.00           C  
HETATM   21  O   UNL     1      -0.475   0.955   0.062  1.00  0.00           O  
HETATM   22  C   UNL     1       0.595   0.122   0.153  1.00  0.00           C  
HETATM   23  C   UNL     1       1.149  -0.407  -0.977  1.00  0.00           C  
HETATM   24  C   UNL     1       2.246  -1.261  -0.906  1.00  0.00           C  
HETATM   25  C   UNL     1       1.140  -0.193   1.415  1.00  0.00           C  
HETATM   26  C   UNL     1       0.595   0.339   2.595  1.00  0.00           C  
HETATM   27  C   UNL     1       1.145   0.013   3.797  1.00  0.00           C  
HETATM   28  C   UNL     1       2.242  -0.842   3.876  1.00  0.00           C  
HETATM   29  C   UNL     1       2.796  -1.375   2.751  1.00  0.00           C  
HETATM   30  C   UNL     1       2.255  -1.062   1.495  1.00  0.00           C  
HETATM   31  C   UNL     1       2.802  -1.597   0.309  1.00  0.00           C  
HETATM   32  N   UNL     1       3.901  -2.457   0.366  1.00  0.00           N  
HETATM   33  S   UNL     1       5.057  -2.402  -0.818  1.00  0.00           S  
HETATM   34  O   UNL     1       6.096  -3.279  -0.405  1.00  0.00           O  
HETATM   35  O   UNL     1       4.372  -2.537  -2.055  1.00  0.00           O  
HETATM   36  C   UNL     1       5.742  -0.778  -0.804  1.00  0.00           C  
HETATM   37  C   UNL     1       6.837  -0.497  -0.008  1.00  0.00           C  
HETATM   38  C   UNL     1       7.374   0.777   0.003  1.00  0.00           C  
HETATM   39  C   UNL     1       6.817   1.769  -0.781  1.00  0.00           C  
HETATM   40  C   UNL     1       5.722   1.487  -1.577  1.00  0.00           C  
HETATM   41  C   UNL     1       5.188   0.212  -1.593  1.00  0.00           C  
HETATM   42  H   UNL     1      -6.504   0.032   1.176  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.905  -1.616   1.480  1.00  0.00           H  
HETATM   44  H   UNL     1      -8.380  -1.535   1.592  1.00  0.00           H  
HETATM   45  H   UNL     1      -8.435  -0.900  -0.070  1.00  0.00           H  
HETATM   46  H   UNL     1      -7.262  -3.590   0.771  1.00  0.00           H  
HETATM   47  H   UNL     1      -9.166  -4.426  -0.439  1.00  0.00           H  
HETATM   48  H   UNL     1      -9.688  -3.437   0.792  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.070  -3.971  -1.672  1.00  0.00           H  
HETATM   50  H   UNL     1      -7.670  -2.323  -1.976  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.139  -3.039  -0.426  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.194  -2.404  -2.088  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.312  -0.349  -1.267  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.654  -1.068  -0.295  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.873   3.697  -0.805  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.587   4.625  -0.542  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.844   5.261  -0.346  1.00  0.00           H  
HETATM   58  H   UNL     1       0.503   6.025  -0.070  1.00  0.00           H  
HETATM   59  H   UNL     1       2.286   4.365   0.253  1.00  0.00           H  
HETATM   60  H   UNL     1       0.730  -0.159  -1.941  1.00  0.00           H  
HETATM   61  H   UNL     1       2.666  -1.667  -1.815  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.255   1.003   2.549  1.00  0.00           H  
HETATM   63  H   UNL     1       0.724   0.423   4.704  1.00  0.00           H  
HETATM   64  H   UNL     1       2.660  -1.085   4.841  1.00  0.00           H  
HETATM   65  H   UNL     1       3.647  -2.036   2.827  1.00  0.00           H  
HETATM   66  H   UNL     1       3.987  -3.086   1.099  1.00  0.00           H  
HETATM   67  H   UNL     1       7.272  -1.272   0.605  1.00  0.00           H  
HETATM   68  H   UNL     1       8.229   0.997   0.625  1.00  0.00           H  
HETATM   69  H   UNL     1       7.236   2.764  -0.772  1.00  0.00           H  
HETATM   70  H   UNL     1       5.286   2.263  -2.190  1.00  0.00           H  
HETATM   71  H   UNL     1       4.336  -0.009  -2.218  1.00  0.00           H  
CONECT    1    7    2   42   43                                       
CONECT    2    1    3   44   45                                       
CONECT    3    5    2    4   46                                       
CONECT    4    3   47   48                                            
CONECT    5    6    3   49   50                                       
CONECT    6    7    5   51   52                                       
CONECT    7    8    6    1   53                                       
CONECT    8    9    7   54                                            
CONECT    9   11   11   10    8                                       
CONECT   10   14   14    9                                            
CONECT   11   12    9    9                                            
CONECT   12   13   13   11   55                                       
CONECT   13   12   12   14   56                                       
CONECT   14   13   15   10   10                                       
CONECT   15   20   14   16   16                                       
CONECT   16   15   15   17   57                                       
CONECT   17   18   18   16   58                                       
CONECT   18   19   17   17   59                                       
CONECT   19   20   20   18                                            
CONECT   20   21   19   19   15                                       
CONECT   21   22   20                                                 
CONECT   22   25   21   23   23                                       
CONECT   23   22   22   24   60                                       
CONECT   24   31   31   23   61                                       
CONECT   25   26   26   30   22                                       
CONECT   26   27   25   25   62                                       
CONECT   27   28   28   26   63                                       
CONECT   28   27   27   29   64                                       
CONECT   29   28   30   30   65                                       
CONECT   30   29   29   25   31                                       
CONECT   31   30   32   24   24                                       
CONECT   32   33   31   66                                            
CONECT   33   35   35   34   34                                       
CONECT   33   32   36                                                 
CONECT   34   33   33                                                 
CONECT   35   33   33                                                 
CONECT   36   33   41   41   37                                       
CONECT   37   36   38   38   67                                       
CONECT   38   37   37   39   68                                       
CONECT   39   40   40   38   69                                       
CONECT   40   41   39   39   70                                       
CONECT   41   36   36   40   71                                       
CONECT   42    1                                                      
CONECT   43    1                                                      
CONECT   44    2                                                      
CONECT   45    2                                                      
CONECT   46    3                                                      
CONECT   47    4                                                      
CONECT   48    4                                                      
CONECT   49    5                                                      
CONECT   50    5                                                      
CONECT   51    6                                                      
CONECT   52    6                                                      
CONECT   53    7                                                      
CONECT   54    8                                                      
CONECT   55   12                                                      
CONECT   56   13                                                      
CONECT   57   16                                                      
CONECT   58   17                                                      
CONECT   59   18                                                      
CONECT   60   23                                                      
CONECT   61   24                                                      
CONECT   62   26                                                      
CONECT   63   27                                                      
CONECT   64   28                                                      
CONECT   65   29                                                      
CONECT   66   32                                                      
CONECT   67   37                                                      
CONECT   68   38                                                      
CONECT   69   39                                                      
CONECT   70   40                                                      
CONECT   71   41                                                      
MASTER        0    0    0    0    0    0    0    0   71    0   71    0
END
