COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.251  -2.582  -0.747  1.00  0.00           C  
HETATM    2  C   UNL     1       0.944  -1.420  -1.024  1.00  0.00           C  
HETATM    3  C   UNL     1       0.350  -0.176  -0.796  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.941  -0.094  -0.289  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.651  -1.255  -0.005  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.056  -2.507  -0.240  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.048  -3.509   0.155  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.131  -2.841   0.584  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.876  -0.456   0.872  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.239   0.482   1.865  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.846   1.691   2.149  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.254   2.544   3.068  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.069   2.148   3.669  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.521   0.924   3.335  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.293   0.317  -0.353  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.911   0.873  -2.555  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.019   1.699  -2.580  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.787   1.834  -1.434  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.412   1.127  -0.301  1.00  0.00           C  
HETATM   20  N   UNL     1      -3.584   0.216  -1.460  1.00  0.00           N  
HETATM   21  N   UNL     1      -2.112   0.138   2.456  1.00  0.00           N  
HETATM   22  N   UNL     1      -2.913  -1.492   0.491  1.00  0.00           N  
HETATM   23  C   UNL     1      -5.106  -1.110   1.505  1.00  0.00           C  
HETATM   24  C   UNL     1       1.103   1.066  -1.097  1.00  0.00           C  
HETATM   25  C   UNL     1       2.273   1.379  -0.371  1.00  0.00           C  
HETATM   26  C   UNL     1       2.951   2.527  -0.664  1.00  0.00           C  
HETATM   27  C   UNL     1       2.467   3.375  -1.686  1.00  0.00           C  
HETATM   28  C   UNL     1       0.670   1.908  -2.079  1.00  0.00           C  
HETATM   29  C   UNL     1       2.702  -3.633   1.037  1.00  0.00           C  
HETATM   30  C   UNL     1       4.181  -3.784   1.401  1.00  0.00           C  
HETATM   31  N   UNL     1       0.845  -3.824  -0.975  1.00  0.00           N  
HETATM   32  S   UNL     1       2.468  -4.025  -0.719  1.00  0.00           S  
HETATM   33  O   UNL     1       3.077  -3.035  -1.536  1.00  0.00           O  
HETATM   34  O   UNL     1       2.692  -5.409  -0.955  1.00  0.00           O  
HETATM   35  N   UNL     1       1.347   3.051  -2.360  1.00  0.00           N  
HETATM   36  C   UNL     1       0.857   3.941  -3.416  1.00  0.00           C  
HETATM   37  C   UNL     1       4.555   2.032   1.164  1.00  0.00           C  
HETATM   38  C   UNL     1       6.034   2.232   1.540  1.00  0.00           C  
HETATM   39  C   UNL     1       4.221   2.628   2.543  1.00  0.00           C  
HETATM   40  O   UNL     1       3.064   4.405  -1.957  1.00  0.00           O  
HETATM   41  N   UNL     1       4.115   2.862   0.040  1.00  0.00           N  
HETATM   42  N   UNL     1       5.578   2.191   2.947  1.00  0.00           N  
HETATM   43  H   UNL     1       1.948  -1.473  -1.419  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.392   0.871  -0.111  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.932  -4.582   0.109  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.040  -3.300   0.945  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.769   1.968   1.661  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.705   3.495   3.309  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.581   2.787   4.389  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.599   0.608   3.798  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.306   0.765  -3.443  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.282   2.234  -3.481  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.658   2.472  -1.424  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.986   1.209   0.609  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.804  -1.669   2.391  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.823  -0.339   1.789  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.567  -1.788   0.788  1.00  0.00           H  
HETATM   58  H   UNL     1       2.628   0.718   0.406  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.223   1.665  -2.636  1.00  0.00           H  
HETATM   60  H   UNL     1       2.107  -4.315   1.644  1.00  0.00           H  
HETATM   61  H   UNL     1       2.384  -2.608   1.225  1.00  0.00           H  
HETATM   62  H   UNL     1       4.321  -3.548   2.455  1.00  0.00           H  
HETATM   63  H   UNL     1       4.499  -4.809   1.212  1.00  0.00           H  
HETATM   64  H   UNL     1       4.776  -3.101   0.794  1.00  0.00           H  
HETATM   65  H   UNL     1       0.306  -4.570  -1.282  1.00  0.00           H  
HETATM   66  H   UNL     1       1.522   4.800  -3.505  1.00  0.00           H  
HETATM   67  H   UNL     1       0.831   3.402  -4.363  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.147   4.284  -3.165  1.00  0.00           H  
HETATM   69  H   UNL     1       4.267   0.985   1.057  1.00  0.00           H  
HETATM   70  H   UNL     1       6.675   1.396   1.262  1.00  0.00           H  
HETATM   71  H   UNL     1       6.437   3.198   1.236  1.00  0.00           H  
HETATM   72  H   UNL     1       4.093   3.711   2.534  1.00  0.00           H  
HETATM   73  H   UNL     1       3.416   2.109   3.063  1.00  0.00           H  
HETATM   74  H   UNL     1       4.629   3.643  -0.216  1.00  0.00           H  
HETATM   75  H   UNL     1       6.037   2.901   3.498  1.00  0.00           H  
CONECT    1    6    6    2   31                                       
CONECT    2    3    3    1   43                                       
CONECT    3    4   24    2    2                                       
CONECT    4    5    5    3   44                                       
CONECT    5   22    4    4    6                                       
CONECT    6    5    7    1    1                                       
CONECT    7    8    8    6   45                                       
CONECT    8   22    7    7   46                                       
CONECT    9   23   15   10   22                                       
CONECT   10   11   21   21    9                                       
CONECT   11   12   12   10   47                                       
CONECT   12   11   11   13   48                                       
CONECT   13   12   14   14   49                                       
CONECT   14   13   13   21   50                                       
CONECT   15   20    9   19   19                                       
CONECT   16   20   20   17   51                                       
CONECT   17   16   18   18   52                                       
CONECT   18   17   17   19   53                                       
CONECT   19   15   15   18   54                                       
CONECT   20   16   16   15                                            
CONECT   21   10   10   14                                            
CONECT   22    9    8    5                                            
CONECT   23    9   55   56   57                                       
CONECT   24   25    3   28   28                                       
CONECT   25   26   26   24   58                                       
CONECT   26   41   25   25   27                                       
CONECT   27   26   40   40   35                                       
CONECT   28   24   24   35   59                                       
CONECT   29   32   30   60   61                                       
CONECT   30   29   62   63   64                                       
CONECT   31    1   32   65                                            
CONECT   32   31   33   33   29                                       
CONECT   32   34   34                                                 
CONECT   33   32   32                                                 
CONECT   34   32   32                                                 
CONECT   35   27   28   36                                            
CONECT   36   35   66   67   68                                       
CONECT   37   39   38   41   69                                       
CONECT   38   42   37   70   71                                       
CONECT   39   42   37   72   73                                       
CONECT   40   27   27                                                 
CONECT   41   37   26   74                                            
CONECT   42   39   38   75                                            
CONECT   43    2                                                      
CONECT   44    4                                                      
CONECT   45    7                                                      
CONECT   46    8                                                      
CONECT   47   11                                                      
CONECT   48   12                                                      
CONECT   49   13                                                      
CONECT   50   14                                                      
CONECT   51   16                                                      
CONECT   52   17                                                      
CONECT   53   18                                                      
CONECT   54   19                                                      
CONECT   55   23                                                      
CONECT   56   23                                                      
CONECT   57   23                                                      
CONECT   58   25                                                      
CONECT   59   28                                                      
CONECT   60   29                                                      
CONECT   61   29                                                      
CONECT   62   30                                                      
CONECT   63   30                                                      
CONECT   64   30                                                      
CONECT   65   31                                                      
CONECT   66   36                                                      
CONECT   67   36                                                      
CONECT   68   36                                                      
CONECT   69   37                                                      
CONECT   70   38                                                      
CONECT   71   38                                                      
CONECT   72   39                                                      
CONECT   73   39                                                      
CONECT   74   41                                                      
CONECT   75   42                                                      
MASTER        0    0    0    0    0    0    0    0   75    0   75    0
END
