COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.608   0.804   0.422  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.217   0.859   0.150  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.288   2.355   0.460  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.466   2.627   1.360  1.00  0.00           C  
HETATM    5  C   UNL     1       1.138  -3.927   1.751  1.00  0.00           C  
HETATM    6  C   UNL     1       2.500  -4.195   1.108  1.00  0.00           C  
HETATM    7  C   UNL     1       3.599  -4.055   2.164  1.00  0.00           C  
HETATM    8  C   UNL     1       2.523  -5.612   0.533  1.00  0.00           C  
HETATM    9  C   UNL     1       2.740  -1.934   0.383  1.00  0.00           C  
HETATM   10  C   UNL     1       2.960   0.425  -0.188  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.346   2.456   2.727  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.426   2.705   3.552  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.627   3.124   3.011  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.748   3.295   1.645  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.665   3.052   0.820  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.421   0.456  -0.662  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.774  -0.152  -0.843  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.977  -0.333   0.084  1.00  0.00           C  
HETATM   19  C   UNL     1      -7.181  -0.735  -0.728  1.00  0.00           C  
HETATM   20  C   UNL     1      -7.455  -2.070  -0.960  1.00  0.00           C  
HETATM   21  C   UNL     1      -9.333  -1.541  -2.184  1.00  0.00           C  
HETATM   22  C   UNL     1      -9.127  -0.188  -1.989  1.00  0.00           C  
HETATM   23  C   UNL     1      -8.031   0.229  -1.248  1.00  0.00           C  
HETATM   24  C   UNL     1       4.069   0.675   0.835  1.00  0.00           C  
HETATM   25  C   UNL     1       5.409   0.419   0.195  1.00  0.00           C  
HETATM   26  C   UNL     1       6.112  -0.723   0.243  1.00  0.00           C  
HETATM   27  C   UNL     1       7.359   0.687  -0.984  1.00  0.00           C  
HETATM   28  C   UNL     1       6.190   1.369  -0.602  1.00  0.00           C  
HETATM   29  C   UNL     1       5.992   2.691  -1.004  1.00  0.00           C  
HETATM   30  C   UNL     1       6.937   3.317  -1.768  1.00  0.00           C  
HETATM   31  C   UNL     1       8.092   2.648  -2.147  1.00  0.00           C  
HETATM   32  C   UNL     1       8.308   1.343  -1.762  1.00  0.00           C  
HETATM   33  N   UNL     1       2.948  -0.992  -0.559  1.00  0.00           N  
HETATM   34  N   UNL     1      -3.604   0.240  -0.053  1.00  0.00           N  
HETATM   35  N   UNL     1      -8.506  -2.430  -1.670  1.00  0.00           N  
HETATM   36  N   UNL     1       7.281  -0.582  -0.455  1.00  0.00           N  
HETATM   37  O   UNL     1       2.730  -3.236   0.042  1.00  0.00           O  
HETATM   38  O   UNL     1       2.563  -1.607   1.540  1.00  0.00           O  
HETATM   39  O   UNL     1      -2.326   0.327  -1.864  1.00  0.00           O  
HETATM   40  S   UNL     1       0.293   0.507  -0.791  1.00  0.00           S  
HETATM   41  H   UNL     1       1.428   0.197   1.309  1.00  0.00           H  
HETATM   42  H   UNL     1       1.617   1.858   0.698  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.204   0.295   1.083  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.371   2.667   0.959  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.405   2.914  -0.469  1.00  0.00           H  
HETATM   46  H   UNL     1       0.356  -4.026   0.999  1.00  0.00           H  
HETATM   47  H   UNL     1       0.966  -4.646   2.551  1.00  0.00           H  
HETATM   48  H   UNL     1       1.122  -2.917   2.161  1.00  0.00           H  
HETATM   49  H   UNL     1       3.583  -3.045   2.574  1.00  0.00           H  
HETATM   50  H   UNL     1       3.427  -4.775   2.965  1.00  0.00           H  
HETATM   51  H   UNL     1       4.569  -4.246   1.706  1.00  0.00           H  
HETATM   52  H   UNL     1       3.494  -5.803   0.075  1.00  0.00           H  
HETATM   53  H   UNL     1       2.351  -6.332   1.334  1.00  0.00           H  
HETATM   54  H   UNL     1       1.741  -5.712  -0.219  1.00  0.00           H  
HETATM   55  H   UNL     1       3.140   1.031  -1.076  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.408   2.128   3.149  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.332   2.571   4.620  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.471   3.318   3.656  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.686   3.622   1.222  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.760   3.185  -0.248  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.567  -1.090  -1.358  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.993   0.625  -1.576  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.758  -1.109   0.817  1.00  0.00           H  
HETATM   64  H   UNL     1      -6.184   0.605   0.599  1.00  0.00           H  
HETATM   65  H   UNL     1      -6.800  -2.827  -0.555  1.00  0.00           H  
HETATM   66  H   UNL     1     -10.184  -1.873  -2.760  1.00  0.00           H  
HETATM   67  H   UNL     1      -9.808   0.535  -2.413  1.00  0.00           H  
HETATM   68  H   UNL     1      -7.845   1.279  -1.080  1.00  0.00           H  
HETATM   69  H   UNL     1       4.021   1.709   1.177  1.00  0.00           H  
HETATM   70  H   UNL     1       3.938   0.005   1.684  1.00  0.00           H  
HETATM   71  H   UNL     1       5.801  -1.622   0.755  1.00  0.00           H  
HETATM   72  H   UNL     1       5.095   3.218  -0.713  1.00  0.00           H  
HETATM   73  H   UNL     1       6.783   4.340  -2.078  1.00  0.00           H  
HETATM   74  H   UNL     1       8.830   3.155  -2.751  1.00  0.00           H  
HETATM   75  H   UNL     1       9.210   0.831  -2.062  1.00  0.00           H  
HETATM   76  H   UNL     1       3.089  -1.253  -1.483  1.00  0.00           H  
HETATM   77  H   UNL     1      -3.680   0.343   0.908  1.00  0.00           H  
HETATM   78  H   UNL     1       7.953  -1.273  -0.562  1.00  0.00           H  
CONECT    1   10   40   41   42                                       
CONECT    2   40    3   16   43                                       
CONECT    3    4    2   44   45                                       
CONECT    4   15    3   11   11                                       
CONECT    5    6   46   47   48                                       
CONECT    6    8    7   37    5                                       
CONECT    7    6   49   50   51                                       
CONECT    8    6   52   53   54                                       
CONECT    9   37   38   38   33                                       
CONECT   10   24   33    1   55                                       
CONECT   11    4    4   12   56                                       
CONECT   12   13   13   11   57                                       
CONECT   13   14   12   12   58                                       
CONECT   14   15   15   13   59                                       
CONECT   15   14   14    4   60                                       
CONECT   16   34    2   39   39                                       
CONECT   17   18   34   61   62                                       
CONECT   18   19   17   63   64                                       
CONECT   19   23   23   20   18                                       
CONECT   20   35   35   19   65                                       
CONECT   21   22   22   35   66                                       
CONECT   22   21   21   23   67                                       
CONECT   23   22   19   19   68                                       
CONECT   24   25   10   69   70                                       
CONECT   25   28   24   26   26                                       
CONECT   26   25   25   36   71                                       
CONECT   27   28   28   32   36                                       
CONECT   28   29   25   27   27                                       
CONECT   29   30   30   28   72                                       
CONECT   30   29   29   31   73                                       
CONECT   31   30   32   32   74                                       
CONECT   32   31   31   27   75                                       
CONECT   33    9   10   76                                            
CONECT   34   17   16   77                                            
CONECT   35   21   20   20                                            
CONECT   36   27   26   78                                            
CONECT   37    6    9                                                 
CONECT   38    9    9                                                 
CONECT   39   16   16                                                 
CONECT   40    1    2                                                 
CONECT   41    1                                                      
CONECT   42    1                                                      
CONECT   43    2                                                      
CONECT   44    3                                                      
CONECT   45    3                                                      
CONECT   46    5                                                      
CONECT   47    5                                                      
CONECT   48    5                                                      
CONECT   49    7                                                      
CONECT   50    7                                                      
CONECT   51    7                                                      
CONECT   52    8                                                      
CONECT   53    8                                                      
CONECT   54    8                                                      
CONECT   55   10                                                      
CONECT   56   11                                                      
CONECT   57   12                                                      
CONECT   58   13                                                      
CONECT   59   14                                                      
CONECT   60   15                                                      
CONECT   61   17                                                      
CONECT   62   17                                                      
CONECT   63   18                                                      
CONECT   64   18                                                      
CONECT   65   20                                                      
CONECT   66   21                                                      
CONECT   67   22                                                      
CONECT   68   23                                                      
CONECT   69   24                                                      
CONECT   70   24                                                      
CONECT   71   26                                                      
CONECT   72   29                                                      
CONECT   73   30                                                      
CONECT   74   31                                                      
CONECT   75   32                                                      
CONECT   76   33                                                      
CONECT   77   34                                                      
CONECT   78   36                                                      
MASTER        0    0    0    0    0    0    0    0   78    0   78    0
END
