COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      10.424   1.911   2.040  1.00  0.00           C  
HETATM    2  C   UNL     1      10.009   2.183   0.592  1.00  0.00           C  
HETATM    3  C   UNL     1       8.287   1.763  -1.058  1.00  0.00           C  
HETATM    4  N   UNL     1      -8.231   3.856  -1.414  1.00  0.00           N  
HETATM    5  C   UNL     1       4.334   0.216  -1.564  1.00  0.00           C  
HETATM    6  C   UNL     1       4.522   1.514  -1.095  1.00  0.00           C  
HETATM    7  C   UNL     1       5.800   2.008  -0.933  1.00  0.00           C  
HETATM    8  C   UNL     1       2.962  -0.319  -1.746  1.00  0.00           C  
HETATM    9  C   UNL     1       2.774  -1.618  -2.215  1.00  0.00           C  
HETATM   10  C   UNL     1       1.495  -2.112  -2.377  1.00  0.00           C  
HETATM   11  C   UNL     1       0.402  -1.321  -2.074  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.992  -1.867  -2.251  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.730  -3.053  -1.104  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.662  -4.523  -1.555  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.370  -3.052   0.300  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.581  -1.458   1.689  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.476  -0.297   1.847  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.899   0.431   0.732  1.00  0.00           C  
HETATM   19  C   UNL     1      -7.138   1.844   2.233  1.00  0.00           C  
HETATM   20  C   UNL     1      -6.898   2.116  -1.571  1.00  0.00           C  
HETATM   21  C   UNL     1       0.582  -0.031  -1.607  1.00  0.00           C  
HETATM   22  C   UNL     1       1.857   0.473  -1.442  1.00  0.00           C  
HETATM   23  C   UNL     1       8.926   0.020   0.498  1.00  0.00           C  
HETATM   24  C   UNL     1       9.340  -0.251   1.946  1.00  0.00           C  
HETATM   25  O   UNL     1      -4.133  -2.019   2.671  1.00  0.00           O  
HETATM   26  C   UNL     1      -5.923   0.092   3.122  1.00  0.00           C  
HETATM   27  N   UNL     1      -5.519  -0.620   4.237  1.00  0.00           N  
HETATM   28  N   UNL     1      -6.727   1.135   3.265  1.00  0.00           N  
HETATM   29  C   UNL     1      -6.745   1.520   0.936  1.00  0.00           C  
HETATM   30  C   UNL     1      -7.217   2.330  -0.216  1.00  0.00           C  
HETATM   31  C   UNL     1      -8.038   3.418  -0.153  1.00  0.00           C  
HETATM   32  C   UNL     1      -9.050   5.005  -1.808  1.00  0.00           C  
HETATM   33  N   UNL     1      -7.509   3.027  -2.281  1.00  0.00           N  
HETATM   34  N   UNL     1      -4.259  -1.899   0.457  1.00  0.00           N  
HETATM   35  C   UNL     1      -4.180  -4.372   0.348  1.00  0.00           C  
HETATM   36  C   UNL     1      -3.263  -5.363  -0.410  1.00  0.00           C  
HETATM   37  O   UNL     1      -1.414  -2.499  -1.041  1.00  0.00           O  
HETATM   38  C   UNL     1       5.439  -0.577  -1.868  1.00  0.00           C  
HETATM   39  C   UNL     1       6.713  -0.072  -1.703  1.00  0.00           C  
HETATM   40  C   UNL     1       6.894   1.217  -1.236  1.00  0.00           C  
HETATM   41  N   UNL     1       8.759   1.467   0.301  1.00  0.00           N  
HETATM   42  N   UNL     1      10.591   0.465   2.237  1.00  0.00           N  
HETATM   43  C   UNL     1      11.062   0.169   3.596  1.00  0.00           C  
HETATM   44  H   UNL     1      11.366   2.418   2.250  1.00  0.00           H  
HETATM   45  H   UNL     1       9.653   2.284   2.715  1.00  0.00           H  
HETATM   46  H   UNL     1       9.857   3.253   0.452  1.00  0.00           H  
HETATM   47  H   UNL     1      10.793   1.835  -0.082  1.00  0.00           H  
HETATM   48  H   UNL     1       8.955   1.298  -1.784  1.00  0.00           H  
HETATM   49  H   UNL     1       8.278   2.842  -1.213  1.00  0.00           H  
HETATM   50  H   UNL     1       3.669   2.132  -0.858  1.00  0.00           H  
HETATM   51  H   UNL     1       5.947   3.014  -0.569  1.00  0.00           H  
HETATM   52  H   UNL     1       3.627  -2.236  -2.452  1.00  0.00           H  
HETATM   53  H   UNL     1       1.349  -3.118  -2.741  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.673  -1.051  -2.492  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.996  -2.595  -3.063  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.344  -2.478  -1.796  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.244  -4.661  -2.466  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.625  -4.813  -1.727  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.600  -3.049   1.071  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.578   0.157  -0.263  1.00  0.00           H  
HETATM   61  H   UNL     1      -7.793   2.687   2.395  1.00  0.00           H  
HETATM   62  H   UNL     1      -6.265   1.330  -1.956  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.275   0.582  -1.373  1.00  0.00           H  
HETATM   64  H   UNL     1       1.997   1.479  -1.074  1.00  0.00           H  
HETATM   65  H   UNL     1       9.697  -0.352  -0.177  1.00  0.00           H  
HETATM   66  H   UNL     1       7.984  -0.486   0.288  1.00  0.00           H  
HETATM   67  H   UNL     1       8.557   0.097   2.619  1.00  0.00           H  
HETATM   68  H   UNL     1       9.493  -1.321   2.086  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.868  -1.334   4.147  1.00  0.00           H  
HETATM   70  H   UNL     1      -5.887  -0.406   5.109  1.00  0.00           H  
HETATM   71  H   UNL     1      -8.458   3.849   0.743  1.00  0.00           H  
HETATM   72  H   UNL     1      -8.434   5.904  -1.818  1.00  0.00           H  
HETATM   73  H   UNL     1      -9.460   4.835  -2.804  1.00  0.00           H  
HETATM   74  H   UNL     1      -9.866   5.132  -1.096  1.00  0.00           H  
HETATM   75  H   UNL     1      -4.617  -1.452  -0.326  1.00  0.00           H  
HETATM   76  H   UNL     1      -4.330  -4.695   1.378  1.00  0.00           H  
HETATM   77  H   UNL     1      -5.135  -4.258  -0.165  1.00  0.00           H  
HETATM   78  H   UNL     1      -3.847  -6.192  -0.812  1.00  0.00           H  
HETATM   79  H   UNL     1      -2.476  -5.733   0.246  1.00  0.00           H  
HETATM   80  H   UNL     1       5.299  -1.584  -2.232  1.00  0.00           H  
HETATM   81  H   UNL     1       7.570  -0.685  -1.938  1.00  0.00           H  
HETATM   82  H   UNL     1      10.337   0.539   4.321  1.00  0.00           H  
HETATM   83  H   UNL     1      11.177  -0.909   3.714  1.00  0.00           H  
HETATM   84  H   UNL     1      12.023   0.657   3.761  1.00  0.00           H  
CONECT    1    2   42   44   45                                       
CONECT    2   41    1   46   47                                       
CONECT    3   40   41   48   49                                       
CONECT    4   32   33   31                                            
CONECT    5    8   38   38    6                                       
CONECT    6    5    7    7   50                                       
CONECT    7    6    6   40   51                                       
CONECT    8    9    9   22    5                                       
CONECT    9   10    8    8   52                                       
CONECT   10   11   11    9   53                                       
CONECT   11   12   10   10   21                                       
CONECT   12   37   11   54   55                                       
CONECT   13   15   14   37   56                                       
CONECT   14   13   36   57   58                                       
CONECT   15   34   35   13   59                                       
CONECT   16   17   25   25   34                                       
CONECT   17   18   18   26   16                                       
CONECT   18   29   17   17   60                                       
CONECT   19   29   29   28   61                                       
CONECT   20   33   33   30   62                                       
CONECT   21   11   22   22   63                                       
CONECT   22   21   21    8   64                                       
CONECT   23   41   24   65   66                                       
CONECT   24   23   42   67   68                                       
CONECT   25   16   16                                                 
CONECT   26   28   28   17   27                                       
CONECT   27   26   69   70                                            
CONECT   28   19   26   26                                            
CONECT   29   30   19   19   18                                       
CONECT   30   20   31   31   29                                       
CONECT   31    4   30   30   71                                       
CONECT   32    4   72   73   74                                       
CONECT   33    4   20   20                                            
CONECT   34   16   15   75                                            
CONECT   35   15   36   76   77                                       
CONECT   36   35   14   78   79                                       
CONECT   37   13   12                                                 
CONECT   38    5    5   39   80                                       
CONECT   39   38   40   40   81                                       
CONECT   40   39   39    7    3                                       
CONECT   41    3    2   23                                            
CONECT   42    1   24   43                                            
CONECT   43   42   82   83   84                                       
CONECT   44    1                                                      
CONECT   45    1                                                      
CONECT   46    2                                                      
CONECT   47    2                                                      
CONECT   48    3                                                      
CONECT   49    3                                                      
CONECT   50    6                                                      
CONECT   51    7                                                      
CONECT   52    9                                                      
CONECT   53   10                                                      
CONECT   54   12                                                      
CONECT   55   12                                                      
CONECT   56   13                                                      
CONECT   57   14                                                      
CONECT   58   14                                                      
CONECT   59   15                                                      
CONECT   60   18                                                      
CONECT   61   19                                                      
CONECT   62   20                                                      
CONECT   63   21                                                      
CONECT   64   22                                                      
CONECT   65   23                                                      
CONECT   66   23                                                      
CONECT   67   24                                                      
CONECT   68   24                                                      
CONECT   69   27                                                      
CONECT   70   27                                                      
CONECT   71   31                                                      
CONECT   72   32                                                      
CONECT   73   32                                                      
CONECT   74   32                                                      
CONECT   75   34                                                      
CONECT   76   35                                                      
CONECT   77   35                                                      
CONECT   78   36                                                      
CONECT   79   36                                                      
CONECT   80   38                                                      
CONECT   81   39                                                      
CONECT   82   43                                                      
CONECT   83   43                                                      
CONECT   84   43                                                      
MASTER        0    0    0    0    0    0    0    0   84    0   84    0
END
