COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       9.572   2.413   0.539  1.00  0.00           C  
HETATM    2  C   UNL     1       9.056   3.556  -0.333  1.00  0.00           C  
HETATM    3  C   UNL     1       7.530   3.617  -0.199  1.00  0.00           C  
HETATM    4  C   UNL     1       6.938   2.395  -0.899  1.00  0.00           C  
HETATM    5  C   UNL     1       7.610   1.134  -0.422  1.00  0.00           C  
HETATM    6  C   UNL     1       8.826   1.137   0.237  1.00  0.00           C  
HETATM    7  N   UNL     1       9.387   0.007   0.633  1.00  0.00           N  
HETATM    8  C   UNL     1       8.824  -1.185   0.430  1.00  0.00           C  
HETATM    9  C   UNL     1       9.444  -2.369   0.865  1.00  0.00           C  
HETATM   10  C   UNL     1       8.841  -3.569   0.642  1.00  0.00           C  
HETATM   11  C   UNL     1       7.614  -3.646  -0.012  1.00  0.00           C  
HETATM   12  C   UNL     1       6.984  -2.520  -0.448  1.00  0.00           C  
HETATM   13  C   UNL     1       7.574  -1.267  -0.230  1.00  0.00           C  
HETATM   14  C   UNL     1       6.962  -0.073  -0.669  1.00  0.00           C  
HETATM   15  N   UNL     1       5.742  -0.101  -1.327  1.00  0.00           N  
HETATM   16  C   UNL     1       4.705  -0.174  -0.289  1.00  0.00           C  
HETATM   17  C   UNL     1       3.323  -0.078  -0.940  1.00  0.00           C  
HETATM   18  C   UNL     1       2.243  -0.154   0.141  1.00  0.00           C  
HETATM   19  C   UNL     1       0.862  -0.057  -0.510  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.218  -0.133   0.571  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.599  -0.037  -0.080  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.679  -0.113   1.001  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.060  -0.016   0.350  1.00  0.00           C  
HETATM   24  S   UNL     1      -5.338  -0.106   1.629  1.00  0.00           S  
HETATM   25  C   UNL     1      -6.782   0.025   0.628  1.00  0.00           C  
HETATM   26  C   UNL     1      -7.396  -1.113   0.110  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.776  -2.446   0.433  1.00  0.00           C  
HETATM   28  C   UNL     1      -7.768  -3.578   0.171  1.00  0.00           C  
HETATM   29  C   UNL     1      -8.332  -3.405  -1.245  1.00  0.00           C  
HETATM   30  C   UNL     1      -9.241  -2.179  -1.256  1.00  0.00           C  
HETATM   31  C   UNL     1      -8.529  -0.983  -0.672  1.00  0.00           C  
HETATM   32  N   UNL     1      -9.039   0.208  -0.940  1.00  0.00           N  
HETATM   33  C   UNL     1      -8.504   1.339  -0.478  1.00  0.00           C  
HETATM   34  C   UNL     1      -7.348   1.287   0.337  1.00  0.00           C  
HETATM   35  C   UNL     1      -6.782   2.475   0.818  1.00  0.00           C  
HETATM   36  C   UNL     1      -7.358   3.670   0.506  1.00  0.00           C  
HETATM   37  C   UNL     1      -8.499   3.725  -0.291  1.00  0.00           C  
HETATM   38  C   UNL     1      -9.070   2.590  -0.779  1.00  0.00           C  
HETATM   39  H   UNL     1      10.634   2.264   0.343  1.00  0.00           H  
HETATM   40  H   UNL     1       9.433   2.671   1.588  1.00  0.00           H  
HETATM   41  H   UNL     1       9.326   3.374  -1.373  1.00  0.00           H  
HETATM   42  H   UNL     1       9.491   4.498   0.003  1.00  0.00           H  
HETATM   43  H   UNL     1       7.156   4.526  -0.669  1.00  0.00           H  
HETATM   44  H   UNL     1       7.252   3.606   0.855  1.00  0.00           H  
HETATM   45  H   UNL     1       7.081   2.493  -1.975  1.00  0.00           H  
HETATM   46  H   UNL     1       5.871   2.338  -0.683  1.00  0.00           H  
HETATM   47  H   UNL     1      10.396  -2.327   1.373  1.00  0.00           H  
HETATM   48  H   UNL     1       9.322  -4.476   0.978  1.00  0.00           H  
HETATM   49  H   UNL     1       7.157  -4.611  -0.177  1.00  0.00           H  
HETATM   50  H   UNL     1       6.033  -2.591  -0.954  1.00  0.00           H  
HETATM   51  H   UNL     1       5.706  -0.973  -1.834  1.00  0.00           H  
HETATM   52  H   UNL     1       4.834   0.650   0.413  1.00  0.00           H  
HETATM   53  H   UNL     1       4.790  -1.121   0.244  1.00  0.00           H  
HETATM   54  H   UNL     1       3.194  -0.902  -1.641  1.00  0.00           H  
HETATM   55  H   UNL     1       3.238   0.869  -1.473  1.00  0.00           H  
HETATM   56  H   UNL     1       2.373   0.671   0.843  1.00  0.00           H  
HETATM   57  H   UNL     1       2.329  -1.101   0.674  1.00  0.00           H  
HETATM   58  H   UNL     1       0.733  -0.881  -1.211  1.00  0.00           H  
HETATM   59  H   UNL     1       0.777   0.890  -1.043  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.132  -1.080   1.104  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.088   0.691   1.273  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.684   0.910  -0.613  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.728  -0.861  -0.781  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.594  -1.060   1.534  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.549   0.712   1.703  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.145   0.931  -0.183  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.189  -0.840  -0.351  1.00  0.00           H  
HETATM   68  H   UNL     1      -5.892  -2.592  -0.187  1.00  0.00           H  
HETATM   69  H   UNL     1      -6.484  -2.461   1.483  1.00  0.00           H  
HETATM   70  H   UNL     1      -7.259  -4.538   0.248  1.00  0.00           H  
HETATM   71  H   UNL     1      -8.579  -3.531   0.897  1.00  0.00           H  
HETATM   72  H   UNL     1      -7.513  -3.261  -1.951  1.00  0.00           H  
HETATM   73  H   UNL     1      -8.905  -4.290  -1.522  1.00  0.00           H  
HETATM   74  H   UNL     1      -9.534  -1.957  -2.282  1.00  0.00           H  
HETATM   75  H   UNL     1     -10.134  -2.389  -0.666  1.00  0.00           H  
HETATM   76  H   UNL     1      -5.898   2.444   1.437  1.00  0.00           H  
HETATM   77  H   UNL     1      -6.925   4.585   0.881  1.00  0.00           H  
HETATM   78  H   UNL     1      -8.938   4.684  -0.525  1.00  0.00           H  
HETATM   79  H   UNL     1      -9.954   2.650  -1.397  1.00  0.00           H  
CONECT    1    2    6   39   40                                       
CONECT    2    1    3   41   42                                       
CONECT    3    2    4   43   44                                       
CONECT    4    3    5   45   46                                       
CONECT    5    4    6    6   14                                       
CONECT    6    1    5    5    7                                       
CONECT    7    6    8    8                                            
CONECT    8    7    7    9   13                                       
CONECT    9    8   10   10   47                                       
CONECT   10    9    9   11   48                                       
CONECT   11   10   12   12   49                                       
CONECT   12   11   11   13   50                                       
CONECT   13    8   12   14   14                                       
CONECT   14    5   13   13   15                                       
CONECT   15   14   16   51                                            
CONECT   16   15   17   52   53                                       
CONECT   17   16   18   54   55                                       
CONECT   18   17   19   56   57                                       
CONECT   19   18   20   58   59                                       
CONECT   20   19   21   60   61                                       
CONECT   21   20   22   62   63                                       
CONECT   22   21   23   64   65                                       
CONECT   23   22   24   66   67                                       
CONECT   24   23   25                                                 
CONECT   25   24   26   26   34                                       
CONECT   26   25   25   27   31                                       
CONECT   27   26   28   68   69                                       
CONECT   28   27   29   70   71                                       
CONECT   29   28   30   72   73                                       
CONECT   30   29   31   74   75                                       
CONECT   31   26   30   32   32                                       
CONECT   32   31   31   33                                            
CONECT   33   32   34   34   38                                       
CONECT   34   25   33   33   35                                       
CONECT   35   34   36   36   76                                       
CONECT   36   35   35   37   77                                       
CONECT   37   36   38   38   78                                       
CONECT   38   33   37   37   79                                       
CONECT   39    1                                                      
CONECT   40    1                                                      
CONECT   41    2                                                      
CONECT   42    2                                                      
CONECT   43    3                                                      
CONECT   44    3                                                      
CONECT   45    4                                                      
CONECT   46    4                                                      
CONECT   47    9                                                      
CONECT   48   10                                                      
CONECT   49   11                                                      
CONECT   50   12                                                      
CONECT   51   15                                                      
CONECT   52   16                                                      
CONECT   53   16                                                      
CONECT   54   17                                                      
CONECT   55   17                                                      
CONECT   56   18                                                      
CONECT   57   18                                                      
CONECT   58   19                                                      
CONECT   59   19                                                      
CONECT   60   20                                                      
CONECT   61   20                                                      
CONECT   62   21                                                      
CONECT   63   21                                                      
CONECT   64   22                                                      
CONECT   65   22                                                      
CONECT   66   23                                                      
CONECT   67   23                                                      
CONECT   68   27                                                      
CONECT   69   27                                                      
CONECT   70   28                                                      
CONECT   71   28                                                      
CONECT   72   29                                                      
CONECT   73   29                                                      
CONECT   74   30                                                      
CONECT   75   30                                                      
CONECT   76   35                                                      
CONECT   77   36                                                      
CONECT   78   37                                                      
CONECT   79   38                                                      
MASTER        0    0    0    0    0    0    0    0   79    0   79    0
END
