COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.093  -0.829   3.214  1.00  0.00           C  
HETATM    2  C   UNL     1       7.237  -1.424   2.714  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.248   3.131  -0.370  1.00  0.00           C  
HETATM    4  C   UNL     1       5.203  -0.212   2.357  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.894   3.132  -0.651  1.00  0.00           C  
HETATM    6  C   UNL     1       7.496  -1.399   1.356  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.768   0.799  -0.082  1.00  0.00           C  
HETATM    8  C   UNL     1       1.474  -0.095   1.819  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.866   1.965   0.056  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.152   1.968  -0.508  1.00  0.00           C  
HETATM   11  C   UNL     1       5.459  -0.186   0.993  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.125   0.794   0.195  1.00  0.00           C  
HETATM   13  C   UNL     1       6.612  -0.780   0.495  1.00  0.00           C  
HETATM   14  C   UNL     1       1.091   1.246  -0.008  1.00  0.00           C  
HETATM   15  C   UNL     1       3.218   0.498   0.444  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.980   1.129  -0.605  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.772   3.335   0.370  1.00  0.00           C  
HETATM   18  C   UNL     1      -7.457   1.092  -0.206  1.00  0.00           C  
HETATM   19  C   UNL     1      -7.248   3.298   0.769  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.730  -3.994   0.696  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.087  -3.546  -1.023  1.00  0.00           C  
HETATM   22  C   UNL     1      -6.772  -4.273  -0.390  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.145  -3.830  -2.092  1.00  0.00           C  
HETATM   24  C   UNL     1       8.567   2.829  -1.949  1.00  0.00           C  
HETATM   25  C   UNL     1      -9.427   2.462   0.122  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.756  -2.690   1.218  1.00  0.00           C  
HETATM   27  C   UNL     1       8.310   1.582  -1.100  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.906  -1.510   0.742  1.00  0.00           C  
HETATM   29  N   UNL     1       0.640   0.600   1.065  1.00  0.00           N  
HETATM   30  N   UNL     1       2.758  -0.149   1.513  1.00  0.00           N  
HETATM   31  N   UNL     1       2.381   1.190  -0.322  1.00  0.00           N  
HETATM   32  N   UNL     1      -5.238   1.966   0.349  1.00  0.00           N  
HETATM   33  N   UNL     1      -7.990   2.461  -0.184  1.00  0.00           N  
HETATM   34  N   UNL     1      -4.744  -3.029   0.186  1.00  0.00           N  
HETATM   35  N   UNL     1       0.219   1.973  -0.795  1.00  0.00           N  
HETATM   36  N   UNL     1       4.560   0.437   0.122  1.00  0.00           N  
HETATM   37  N   UNL     1       7.181   0.835  -1.661  1.00  0.00           N  
HETATM   38  O   UNL     1       8.191  -1.404  -1.418  1.00  0.00           O  
HETATM   39  O   UNL     1       5.747  -1.161  -1.881  1.00  0.00           O  
HETATM   40  O   UNL     1      -6.111  -4.745  -1.568  1.00  0.00           O  
HETATM   41  O   UNL     1      -3.730  -0.350   0.612  1.00  0.00           O  
HETATM   42  S   UNL     1       6.944  -0.748  -1.236  1.00  0.00           S  
HETATM   43  H   UNL     1       5.894  -0.850   4.276  1.00  0.00           H  
HETATM   44  H   UNL     1       7.930  -1.909   3.386  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.822   4.039  -0.477  1.00  0.00           H  
HETATM   46  H   UNL     1       4.307   0.248   2.748  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.414   4.041  -0.984  1.00  0.00           H  
HETATM   48  H   UNL     1       8.390  -1.864   0.969  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.192  -0.108   0.024  1.00  0.00           H  
HETATM   50  H   UNL     1       1.105  -0.618   2.689  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.575   0.118  -0.594  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.884   1.548  -1.607  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.674   3.779  -0.621  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.214   3.931   1.092  1.00  0.00           H  
HETATM   55  H   UNL     1      -8.014   0.496  -0.928  1.00  0.00           H  
HETATM   56  H   UNL     1      -7.555   0.648   0.785  1.00  0.00           H  
HETATM   57  H   UNL     1      -7.344   2.879   1.771  1.00  0.00           H  
HETATM   58  H   UNL     1      -7.654   4.310   0.758  1.00  0.00           H  
HETATM   59  H   UNL     1      -6.222  -3.580   1.576  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.226  -4.922   0.964  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.556  -4.467  -0.783  1.00  0.00           H  
HETATM   62  H   UNL     1      -3.380  -2.806  -1.398  1.00  0.00           H  
HETATM   63  H   UNL     1      -7.471  -5.031  -0.037  1.00  0.00           H  
HETATM   64  H   UNL     1      -7.313  -3.355  -0.620  1.00  0.00           H  
HETATM   65  H   UNL     1      -5.640  -2.900  -2.371  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.669  -4.267  -2.969  1.00  0.00           H  
HETATM   67  H   UNL     1       7.678   3.459  -1.948  1.00  0.00           H  
HETATM   68  H   UNL     1       9.407   3.385  -1.532  1.00  0.00           H  
HETATM   69  H   UNL     1       8.800   2.531  -2.971  1.00  0.00           H  
HETATM   70  H   UNL     1      -9.810   3.481   0.065  1.00  0.00           H  
HETATM   71  H   UNL     1      -9.952   1.835  -0.599  1.00  0.00           H  
HETATM   72  H   UNL     1      -9.585   2.070   1.126  1.00  0.00           H  
HETATM   73  H   UNL     1      -3.114  -3.550   1.403  1.00  0.00           H  
HETATM   74  H   UNL     1      -4.272  -2.417   2.139  1.00  0.00           H  
HETATM   75  H   UNL     1       9.199   0.952  -1.101  1.00  0.00           H  
HETATM   76  H   UNL     1       8.077   1.880  -0.078  1.00  0.00           H  
HETATM   77  H   UNL     1      -2.116  -1.315   1.468  1.00  0.00           H  
HETATM   78  H   UNL     1      -2.460  -1.750  -0.223  1.00  0.00           H  
HETATM   79  H   UNL     1       0.556   2.486  -1.545  1.00  0.00           H  
HETATM   80  H   UNL     1       4.878   0.826  -0.707  1.00  0.00           H  
HETATM   81  H   UNL     1       6.573   1.267  -2.280  1.00  0.00           H  
CONECT    1    2    2    4   43                                       
CONECT    2    6    1    1   44                                       
CONECT    3    5    9    9   45                                       
CONECT    4   11   11    1   46                                       
CONECT    5   10   10    3   47                                       
CONECT    6   13   13    2   48                                       
CONECT    7   10   12   12   49                                       
CONECT    8   30   30   29   50                                       
CONECT    9    3    3   12   32                                       
CONECT   10   35    5    5    7                                       
CONECT   11   13   36    4    4                                       
CONECT   12    7    7    9   41                                       
CONECT   13   42    6    6   11                                       
CONECT   14   29   29   31   35                                       
CONECT   15   30   36   31   31                                       
CONECT   16   32   18   51   52                                       
CONECT   17   19   32   53   54                                       
CONECT   18   16   33   55   56                                       
CONECT   19   17   33   57   58                                       
CONECT   20   34   22   59   60                                       
CONECT   21   34   23   61   62                                       
CONECT   22   20   40   63   64                                       
CONECT   23   21   40   65   66                                       
CONECT   24   27   67   68   69                                       
CONECT   25   33   70   71   72                                       
CONECT   26   28   34   73   74                                       
CONECT   27   24   37   75   76                                       
CONECT   28   41   26   77   78                                       
CONECT   29    8   14   14                                            
CONECT   30    8    8   15                                            
CONECT   31   15   15   14                                            
CONECT   32    9   16   17                                            
CONECT   33   19   18   25                                            
CONECT   34   26   20   21                                            
CONECT   35   14   10   79                                            
CONECT   36   15   11   80                                            
CONECT   37   27   42   81                                            
CONECT   38   42   42                                                 
CONECT   39   42   42                                                 
CONECT   40   22   23                                                 
CONECT   41   12   28                                                 
CONECT   42   37   38   38   39                                       
CONECT   42   39   13                                                 
CONECT   43    1                                                      
CONECT   44    2                                                      
CONECT   45    3                                                      
CONECT   46    4                                                      
CONECT   47    5                                                      
CONECT   48    6                                                      
CONECT   49    7                                                      
CONECT   50    8                                                      
CONECT   51   16                                                      
CONECT   52   16                                                      
CONECT   53   17                                                      
CONECT   54   17                                                      
CONECT   55   18                                                      
CONECT   56   18                                                      
CONECT   57   19                                                      
CONECT   58   19                                                      
CONECT   59   20                                                      
CONECT   60   20                                                      
CONECT   61   21                                                      
CONECT   62   21                                                      
CONECT   63   22                                                      
CONECT   64   22                                                      
CONECT   65   23                                                      
CONECT   66   23                                                      
CONECT   67   24                                                      
CONECT   68   24                                                      
CONECT   69   24                                                      
CONECT   70   25                                                      
CONECT   71   25                                                      
CONECT   72   25                                                      
CONECT   73   26                                                      
CONECT   74   26                                                      
CONECT   75   27                                                      
CONECT   76   27                                                      
CONECT   77   28                                                      
CONECT   78   28                                                      
CONECT   79   35                                                      
CONECT   80   36                                                      
CONECT   81   37                                                      
MASTER        0    0    0    0    0    0    0    0   81    0   81    0
END
