COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.620  -0.236   2.363  1.00  0.00           C  
HETATM    2  C   UNL     1      -6.277  -0.925   1.216  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.107  -0.611   0.558  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.234   0.398   1.023  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.625   1.084   2.198  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.782   0.763   2.837  1.00  0.00           C  
HETATM    7  S   UNL     1      -4.307  -1.223  -0.901  1.00  0.00           S  
HETATM    8  C   UNL     1      -2.870  -0.169  -0.893  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.050   0.600   0.206  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.033   1.648   0.580  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.749  -0.141  -1.857  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.093  -1.324  -2.202  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.049  -1.294  -3.101  1.00  0.00           C  
HETATM   14  C   UNL     1       0.350  -0.089  -3.663  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.299   1.089  -3.323  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.348   1.067  -2.429  1.00  0.00           C  
HETATM   17  O   UNL     1       1.380  -0.063  -4.549  1.00  0.00           O  
HETATM   18  C   UNL     1       1.551   1.299  -4.944  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.147   0.898   2.798  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.959   1.023   1.434  1.00  0.00           C  
HETATM   21  C   UNL     1       0.211   0.576   0.851  1.00  0.00           C  
HETATM   22  C   UNL     1       1.197   0.003   1.631  1.00  0.00           C  
HETATM   23  C   UNL     1       1.011  -0.122   3.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.167   0.321   3.581  1.00  0.00           C  
HETATM   25  O   UNL     1       1.979  -0.686   3.769  1.00  0.00           O  
HETATM   26  C   UNL     1       1.498  -0.673   5.115  1.00  0.00           C  
HETATM   27  C   UNL     1       4.892   1.253   7.131  1.00  0.00           C  
HETATM   28  C   UNL     1       5.709  -0.042   7.314  1.00  0.00           C  
HETATM   29  C   UNL     1       4.762  -1.178   6.872  1.00  0.00           C  
HETATM   30  N   UNL     1       3.792  -0.523   5.957  1.00  0.00           N  
HETATM   31  C   UNL     1       3.521   0.791   6.593  1.00  0.00           C  
HETATM   32  C   UNL     1       3.537   0.720  -8.050  1.00  0.00           C  
HETATM   33  N   UNL     1       2.395   0.581  -7.129  1.00  0.00           N  
HETATM   34  C   UNL     1       2.329  -0.822  -6.669  1.00  0.00           C  
HETATM   35  C   UNL     1       3.045  -1.635  -7.776  1.00  0.00           C  
HETATM   36  C   UNL     1       4.191  -0.670  -8.181  1.00  0.00           C  
HETATM   37  C   UNL     1       2.546  -1.297   6.038  1.00  0.00           C  
HETATM   38  C   UNL     1       2.702   1.398  -5.947  1.00  0.00           C  
HETATM   39  H   UNL     1      -7.535  -0.473   2.886  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.921  -1.705   0.837  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.996   1.868   2.593  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.055   1.299   3.734  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.522   2.446   1.139  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.585   2.059  -0.323  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.404  -2.261  -1.765  1.00  0.00           H  
HETATM   46  H   UNL     1       0.458  -2.209  -3.369  1.00  0.00           H  
HETATM   47  H   UNL     1       0.015   2.025  -3.762  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.853   1.984  -2.165  1.00  0.00           H  
HETATM   49  H   UNL     1       0.634   1.661  -5.407  1.00  0.00           H  
HETATM   50  H   UNL     1       1.780   1.905  -4.068  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.063   1.248   3.250  1.00  0.00           H  
HETATM   52  H   UNL     1       0.356   0.675  -0.214  1.00  0.00           H  
HETATM   53  H   UNL     1       2.112  -0.345   1.175  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.314   0.223   4.647  1.00  0.00           H  
HETATM   55  H   UNL     1       0.573  -1.247   5.175  1.00  0.00           H  
HETATM   56  H   UNL     1       1.308   0.354   5.423  1.00  0.00           H  
HETATM   57  H   UNL     1       4.772   1.763   8.087  1.00  0.00           H  
HETATM   58  H   UNL     1       5.380   1.909   6.410  1.00  0.00           H  
HETATM   59  H   UNL     1       6.597  -0.022   6.683  1.00  0.00           H  
HETATM   60  H   UNL     1       5.989  -0.168   8.360  1.00  0.00           H  
HETATM   61  H   UNL     1       5.318  -1.953   6.344  1.00  0.00           H  
HETATM   62  H   UNL     1       4.246  -1.600   7.734  1.00  0.00           H  
HETATM   63  H   UNL     1       2.810   0.677   7.412  1.00  0.00           H  
HETATM   64  H   UNL     1       3.143   1.499   5.856  1.00  0.00           H  
HETATM   65  H   UNL     1       3.188   1.059  -9.025  1.00  0.00           H  
HETATM   66  H   UNL     1       4.257   1.431  -7.644  1.00  0.00           H  
HETATM   67  H   UNL     1       2.850  -0.935  -5.718  1.00  0.00           H  
HETATM   68  H   UNL     1       1.291  -1.142  -6.574  1.00  0.00           H  
HETATM   69  H   UNL     1       2.377  -1.822  -8.617  1.00  0.00           H  
HETATM   70  H   UNL     1       3.443  -2.569  -7.380  1.00  0.00           H  
HETATM   71  H   UNL     1       4.504  -0.854  -9.209  1.00  0.00           H  
HETATM   72  H   UNL     1       5.035  -0.766  -7.498  1.00  0.00           H  
HETATM   73  H   UNL     1       2.736  -2.325   5.730  1.00  0.00           H  
HETATM   74  H   UNL     1       2.179  -1.287   7.064  1.00  0.00           H  
HETATM   75  H   UNL     1       2.833   2.437  -6.249  1.00  0.00           H  
HETATM   76  H   UNL     1       3.620   1.036  -5.484  1.00  0.00           H  
CONECT    1    2    2    6   39                                       
CONECT    2    1    1    3   40                                       
CONECT    3    2    4    4    7                                       
CONECT    4    3    3    5    9                                       
CONECT    5    4    6    6   41                                       
CONECT    6    1    5    5   42                                       
CONECT    7    3    8                                                 
CONECT    8    7    9    9   11                                       
CONECT    9    4    8    8   10                                       
CONECT   10    9   20   43   44                                       
CONECT   11    8   12   12   16                                       
CONECT   12   11   11   13   45                                       
CONECT   13   12   14   14   46                                       
CONECT   14   13   13   15   17                                       
CONECT   15   14   16   16   47                                       
CONECT   16   11   15   15   48                                       
CONECT   17   14   18                                                 
CONECT   18   17   38   49   50                                       
CONECT   19   20   20   24   51                                       
CONECT   20   10   19   19   21                                       
CONECT   21   20   22   22   52                                       
CONECT   22   21   21   23   53                                       
CONECT   23   22   24   24   25                                       
CONECT   24   19   23   23   54                                       
CONECT   25   23   26                                                 
CONECT   26   25   37   55   56                                       
CONECT   27   28   31   57   58                                       
CONECT   28   27   29   59   60                                       
CONECT   29   28   30   61   62                                       
CONECT   30   29   31   37                                            
CONECT   31   27   30   63   64                                       
CONECT   32   33   36   65   66                                       
CONECT   33   32   34   38                                            
CONECT   34   33   35   67   68                                       
CONECT   35   34   36   69   70                                       
CONECT   36   32   35   71   72                                       
CONECT   37   26   30   73   74                                       
CONECT   38   18   33   75   76                                       
CONECT   39    1                                                      
CONECT   40    2                                                      
CONECT   41    5                                                      
CONECT   42    6                                                      
CONECT   43   10                                                      
CONECT   44   10                                                      
CONECT   45   12                                                      
CONECT   46   13                                                      
CONECT   47   15                                                      
CONECT   48   16                                                      
CONECT   49   18                                                      
CONECT   50   18                                                      
CONECT   51   19                                                      
CONECT   52   21                                                      
CONECT   53   22                                                      
CONECT   54   24                                                      
CONECT   55   26                                                      
CONECT   56   26                                                      
CONECT   57   27                                                      
CONECT   58   27                                                      
CONECT   59   28                                                      
CONECT   60   28                                                      
CONECT   61   29                                                      
CONECT   62   29                                                      
CONECT   63   31                                                      
CONECT   64   31                                                      
CONECT   65   32                                                      
CONECT   66   32                                                      
CONECT   67   34                                                      
CONECT   68   34                                                      
CONECT   69   35                                                      
CONECT   70   35                                                      
CONECT   71   36                                                      
CONECT   72   36                                                      
CONECT   73   37                                                      
CONECT   74   37                                                      
CONECT   75   38                                                      
CONECT   76   38                                                      
MASTER        0    0    0    0    0    0    0    0   76    0   76    0
END
