COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  O   UNL     1      -0.599  -1.980  -0.818  1.00  0.00           O  
HETATM    2  O   UNL     1      -4.424  -0.295  -0.307  1.00  0.00           O  
HETATM    3  O   UNL     1       5.898  -2.746   0.324  1.00  0.00           O  
HETATM    4  O   UNL     1     -11.876   0.604   3.198  1.00  0.00           O  
HETATM    5  O   UNL     1     -12.801  -0.666   1.440  1.00  0.00           O  
HETATM    6  O   UNL     1      12.232   3.319  -0.713  1.00  0.00           O  
HETATM    7  O   UNL     1      10.163   4.677  -1.063  1.00  0.00           O  
HETATM    8  O   UNL     1      -8.197   4.825   1.145  1.00  0.00           O  
HETATM    9  O   UNL     1     -10.176   4.251  -0.269  1.00  0.00           O  
HETATM   10  O   UNL     1      12.367  -2.121  -0.401  1.00  0.00           O  
HETATM   11  O   UNL     1      12.556  -2.288   1.943  1.00  0.00           O  
HETATM   12  O   UNL     1      -6.824  -2.354   0.163  1.00  0.00           O  
HETATM   13  O   UNL     1      -8.346  -2.590  -1.805  1.00  0.00           O  
HETATM   14  O   UNL     1       5.458   0.469  -0.438  1.00  0.00           O  
HETATM   15  O   UNL     1       5.688   2.811  -0.586  1.00  0.00           O  
HETATM   16  O   UNL     1     -12.745   1.832   1.384  1.00  0.00           O  
HETATM   17  O   UNL     1      11.003   3.228  -2.722  1.00  0.00           O  
HETATM   18  O   UNL     1      -8.296   5.371  -1.146  1.00  0.00           O  
HETATM   19  O   UNL     1      12.707  -0.112   1.047  1.00  0.00           O  
HETATM   20  O   UNL     1      -8.928  -3.403   0.330  1.00  0.00           O  
HETATM   21  O   UNL     1       5.771   1.901   1.587  1.00  0.00           O  
HETATM   22  C   UNL     1      -4.364  -4.392  -2.685  1.00  0.00           C  
HETATM   23  C   UNL     1       2.031  -0.174   1.266  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.096  -4.690  -2.221  1.00  0.00           C  
HETATM   25  C   UNL     1       1.200  -1.193   0.839  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.993  -3.230  -2.288  1.00  0.00           C  
HETATM   27  C   UNL     1       3.401  -0.339   1.242  1.00  0.00           C  
HETATM   28  C   UNL     1      -6.263   1.535  -1.368  1.00  0.00           C  
HETATM   29  C   UNL     1       8.235  -2.020   1.551  1.00  0.00           C  
HETATM   30  C   UNL     1      -6.850   2.761  -1.069  1.00  0.00           C  
HETATM   31  C   UNL     1       9.616  -2.163   1.445  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.069  -2.651  -0.950  1.00  0.00           C  
HETATM   33  C   UNL     1       3.113  -2.570   0.366  1.00  0.00           C  
HETATM   34  C   UNL     1     -10.031  -0.710   0.580  1.00  0.00           C  
HETATM   35  C   UNL     1       8.566   2.339  -0.429  1.00  0.00           C  
HETATM   36  C   UNL     1      -9.983   1.686   0.549  1.00  0.00           C  
HETATM   37  C   UNL     1      10.559   1.048  -0.099  1.00  0.00           C  
HETATM   38  N   UNL     1      -1.163  -4.127  -0.887  1.00  0.00           N  
HETATM   39  N   UNL     1       0.893  -3.426  -0.032  1.00  0.00           N  
HETATM   40  N   UNL     1      -6.299  -0.870  -1.350  1.00  0.00           N  
HETATM   41  N   UNL     1       6.226  -0.740   1.221  1.00  0.00           N  
HETATM   42  C   UNL     1      -0.300  -3.136  -0.587  1.00  0.00           C  
HETATM   43  C   UNL     1      -5.023  -1.107  -0.986  1.00  0.00           C  
HETATM   44  C   UNL     1       5.419  -1.717   0.761  1.00  0.00           C  
HETATM   45  C   UNL     1      -2.446  -3.821  -1.354  1.00  0.00           C  
HETATM   46  C   UNL     1       1.739  -2.393   0.388  1.00  0.00           C  
HETATM   47  C   UNL     1      -4.351  -2.353  -1.413  1.00  0.00           C  
HETATM   48  C   UNL     1       3.952  -1.538   0.787  1.00  0.00           C  
HETATM   49  C   UNL     1     -10.609   0.523   0.875  1.00  0.00           C  
HETATM   50  C   UNL     1       9.947   2.186  -0.530  1.00  0.00           C  
HETATM   51  C   UNL     1      -6.895   0.354  -1.046  1.00  0.00           C  
HETATM   52  C   UNL     1       7.611  -0.871   1.115  1.00  0.00           C  
HETATM   53  C   UNL     1      -8.058   2.829  -0.446  1.00  0.00           C  
HETATM   54  C   UNL     1      10.386  -1.176   0.911  1.00  0.00           C  
HETATM   55  C   UNL     1      -8.831  -0.786  -0.060  1.00  0.00           C  
HETATM   56  C   UNL     1       7.790   1.361   0.114  1.00  0.00           C  
HETATM   57  C   UNL     1      -8.734   1.647  -0.095  1.00  0.00           C  
HETATM   58  C   UNL     1       9.788   0.012   0.455  1.00  0.00           C  
HETATM   59  C   UNL     1      -8.152   0.393  -0.405  1.00  0.00           C  
HETATM   60  C   UNL     1       8.385   0.171   0.563  1.00  0.00           C  
HETATM   61  S   UNL     1     -12.163   0.576   1.704  1.00  0.00           S  
HETATM   62  S   UNL     1      10.916   3.483  -1.224  1.00  0.00           S  
HETATM   63  S   UNL     1      -8.775   4.396  -0.080  1.00  0.00           S  
HETATM   64  S   UNL     1      12.132  -1.386   0.792  1.00  0.00           S  
HETATM   65  S   UNL     1      -8.118  -2.356  -0.422  1.00  0.00           S  
HETATM   66  S   UNL     1       6.045   1.577   0.231  1.00  0.00           S  
HETATM   67  H   UNL     1     -12.669   0.634   3.750  1.00  0.00           H  
HETATM   68  H   UNL     1      13.505  -2.469   1.971  1.00  0.00           H  
HETATM   69  H   UNL     1       4.744   3.021  -0.589  1.00  0.00           H  
HETATM   70  H   UNL     1      11.519   3.889  -3.204  1.00  0.00           H  
HETATM   71  H   UNL     1      -8.634   6.270  -1.037  1.00  0.00           H  
HETATM   72  H   UNL     1      -8.618  -4.309   0.198  1.00  0.00           H  
HETATM   73  H   UNL     1      -4.862  -5.070  -3.363  1.00  0.00           H  
HETATM   74  H   UNL     1       1.606   0.756   1.614  1.00  0.00           H  
HETATM   75  H   UNL     1      -2.609  -5.602  -2.535  1.00  0.00           H  
HETATM   76  H   UNL     1       0.129  -1.057   0.855  1.00  0.00           H  
HETATM   77  H   UNL     1      -5.982  -2.999  -2.656  1.00  0.00           H  
HETATM   78  H   UNL     1       4.047   0.460   1.577  1.00  0.00           H  
HETATM   79  H   UNL     1      -5.303   1.509  -1.862  1.00  0.00           H  
HETATM   80  H   UNL     1       7.647  -2.820   1.974  1.00  0.00           H  
HETATM   81  H   UNL     1      -6.337   3.674  -1.334  1.00  0.00           H  
HETATM   82  H   UNL     1      10.083  -3.073   1.793  1.00  0.00           H  
HETATM   83  H   UNL     1      -2.568  -1.976  -0.272  1.00  0.00           H  
HETATM   84  H   UNL     1       3.534  -3.502   0.017  1.00  0.00           H  
HETATM   85  H   UNL     1     -10.549  -1.619   0.849  1.00  0.00           H  
HETATM   86  H   UNL     1       8.104   3.247  -0.787  1.00  0.00           H  
HETATM   87  H   UNL     1     -10.443   2.635   0.784  1.00  0.00           H  
HETATM   88  H   UNL     1      11.630   0.943  -0.183  1.00  0.00           H  
HETATM   89  H   UNL     1      -0.894  -5.053  -0.780  1.00  0.00           H  
HETATM   90  H   UNL     1       1.166  -4.350   0.077  1.00  0.00           H  
HETATM   91  H   UNL     1      -6.802  -1.551  -1.824  1.00  0.00           H  
HETATM   92  H   UNL     1       5.843   0.054   1.625  1.00  0.00           H  
CONECT    1   42   42                                                 
CONECT    2   43   43                                                 
CONECT    3   44   44                                                 
CONECT    4   61   67                                                 
CONECT    5   61   61                                                 
CONECT    6   62   62                                                 
CONECT    7   62   62                                                 
CONECT    8   63   63                                                 
CONECT    9   63   63                                                 
CONECT   10   64   64                                                 
CONECT   11   64   68                                                 
CONECT   12   65   65                                                 
CONECT   13   65   65                                                 
CONECT   14   66   66                                                 
CONECT   15   66   69                                                 
CONECT   16   61   61                                                 
CONECT   17   62   70                                                 
CONECT   18   63   71                                                 
CONECT   19   64   64                                                 
CONECT   20   65   72                                                 
CONECT   21   66   66                                                 
CONECT   22   24   24   26   73                                       
CONECT   23   27   27   25   74                                       
CONECT   24   22   22   45   75                                       
CONECT   25   23   46   46   76                                       
CONECT   26   22   47   47   77                                       
CONECT   27   23   23   48   78                                       
CONECT   28   51   51   30   79                                       
CONECT   29   31   31   52   80                                       
CONECT   30   28   53   53   81                                       
CONECT   31   29   29   54   82                                       
CONECT   32   45   45   47   83                                       
CONECT   33   48   48   46   84                                       
CONECT   34   55   49   49   85                                       
CONECT   35   50   56   56   86                                       
CONECT   36   49   57   57   87                                       
CONECT   37   58   50   50   88                                       
CONECT   38   42   45   89                                            
CONECT   39   46   42   90                                            
CONECT   40   43   51   91                                            
CONECT   41   52   44   92                                            
CONECT   42    1    1   38   39                                       
CONECT   43    2    2   40   47                                       
CONECT   44    3    3   41   48                                       
CONECT   45   24   32   32   38                                       
CONECT   46   25   25   33   39                                       
CONECT   47   26   26   32   43                                       
CONECT   48   27   33   33   44                                       
CONECT   49   34   34   36   61                                       
CONECT   50   35   37   37   62                                       
CONECT   51   28   28   40   59                                       
CONECT   52   29   41   60   60                                       
CONECT   53   30   30   57   63                                       
CONECT   54   31   64   58   58                                       
CONECT   55   34   65   59   59                                       
CONECT   56   35   35   60   66                                       
CONECT   57   36   36   53   59                                       
CONECT   58   37   54   54   60                                       
CONECT   59   51   55   55   57                                       
CONECT   60   52   52   56   58                                       
CONECT   61    4    5    5   16                                       
CONECT   61   16   49                                                 
CONECT   62    6    6    7    7                                       
CONECT   62   17   50                                                 
CONECT   63    8    8    9    9                                       
CONECT   63   18   53                                                 
CONECT   64   10   10   11   19                                       
CONECT   64   19   54                                                 
CONECT   65   12   12   13   13                                       
CONECT   65   20   55                                                 
CONECT   66   14   14   15   21                                       
CONECT   66   21   56                                                 
CONECT   67    4                                                      
CONECT   68   11                                                      
CONECT   69   15                                                      
CONECT   70   17                                                      
CONECT   71   18                                                      
CONECT   72   20                                                      
CONECT   73   22                                                      
CONECT   74   23                                                      
CONECT   75   24                                                      
CONECT   76   25                                                      
CONECT   77   26                                                      
CONECT   78   27                                                      
CONECT   79   28                                                      
CONECT   80   29                                                      
CONECT   81   30                                                      
CONECT   82   31                                                      
CONECT   83   32                                                      
CONECT   84   33                                                      
CONECT   85   34                                                      
CONECT   86   35                                                      
CONECT   87   36                                                      
CONECT   88   37                                                      
CONECT   89   38                                                      
CONECT   90   39                                                      
CONECT   91   40                                                      
CONECT   92   41                                                      
MASTER        0    0    0    0    0    0    0    0   92    0   92    0
END
