COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.920   1.057  -1.164  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.389  -0.331   0.328  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.184  -0.239  -0.572  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.934   1.259   1.057  1.00  0.00           C  
HETATM    5  C   UNL     1       0.088   0.818  -1.001  1.00  0.00           C  
HETATM    6  C   UNL     1       1.235  -0.043  -0.538  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.290   2.598   0.637  1.00  0.00           C  
HETATM    8  C   UNL     1       3.484  -0.936  -0.822  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.799   3.274  -0.638  1.00  0.00           C  
HETATM   10  C   UNL     1       3.316  -2.420  -1.153  1.00  0.00           C  
HETATM   11  C   UNL     1       5.622   4.453   2.478  1.00  0.00           C  
HETATM   12  C   UNL     1       4.448  -3.219  -0.503  1.00  0.00           C  
HETATM   13  C   UNL     1       4.315  -4.721  -0.844  1.00  0.00           C  
HETATM   14  C   UNL     1       3.523  -5.251   0.372  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.140   2.798  -1.201  1.00  0.00           C  
HETATM   16  C   UNL     1       4.335  -3.168   1.004  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.503   4.765  -0.812  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.093  -2.810   0.414  1.00  0.00           C  
HETATM   19  C   UNL     1      -8.158   1.689   0.095  1.00  0.00           C  
HETATM   20  C   UNL     1      -8.516  -0.592   1.050  1.00  0.00           C  
HETATM   21  C   UNL     1      -9.288  -0.074  -1.269  1.00  0.00           C  
HETATM   22  C   UNL     1       5.304   2.864   0.424  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.244  -1.540   1.254  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.006  -1.361   2.135  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.487  -1.658   2.138  1.00  0.00           C  
HETATM   26  C   UNL     1       0.384   2.307  -0.720  1.00  0.00           C  
HETATM   27  C   UNL     1       5.545   3.028   1.926  1.00  0.00           C  
HETATM   28  C   UNL     1       6.892   3.606   2.367  1.00  0.00           C  
HETATM   29  C   UNL     1      -8.201   0.193  -0.225  1.00  0.00           C  
HETATM   30  C   UNL     1       4.754  -0.405  -1.490  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.792  -0.092  -0.002  1.00  0.00           C  
HETATM   32  N   UNL     1      -4.597  -0.483  -0.488  1.00  0.00           N  
HETATM   33  N   UNL     1      -1.132   0.524  -0.214  1.00  0.00           N  
HETATM   34  N   UNL     1       2.324  -0.191  -1.318  1.00  0.00           N  
HETATM   35  N   UNL     1       5.143   1.443   0.108  1.00  0.00           N  
HETATM   36  N   UNL     1       3.819  -4.320   1.468  1.00  0.00           N  
HETATM   37  N   UNL     1      -6.903  -0.232  -0.753  1.00  0.00           N  
HETATM   38  O   UNL     1       4.661  -2.226   1.694  1.00  0.00           O  
HETATM   39  O   UNL     1      -5.868   0.387   1.112  1.00  0.00           O  
HETATM   40  O   UNL     1      -2.160  -0.852  -1.618  1.00  0.00           O  
HETATM   41  O   UNL     1       1.178  -0.602   0.537  1.00  0.00           O  
HETATM   42  O   UNL     1       4.857   1.886  -2.047  1.00  0.00           O  
HETATM   43  O   UNL     1       4.652  -0.569  -2.906  1.00  0.00           O  
HETATM   44  H   UNL     1      -3.467   0.577   0.925  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.264   0.706   1.716  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.891   1.435   1.548  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.099   0.661  -2.063  1.00  0.00           H  
HETATM   48  H   UNL     1       0.205   3.185   1.410  1.00  0.00           H  
HETATM   49  H   UNL     1       3.562  -0.811   0.258  1.00  0.00           H  
HETATM   50  H   UNL     1       2.358  -2.772  -0.770  1.00  0.00           H  
HETATM   51  H   UNL     1       3.348  -2.558  -2.234  1.00  0.00           H  
HETATM   52  H   UNL     1       5.501   5.273   1.771  1.00  0.00           H  
HETATM   53  H   UNL     1       5.220   4.628   3.476  1.00  0.00           H  
HETATM   54  H   UNL     1       5.417  -2.837  -0.826  1.00  0.00           H  
HETATM   55  H   UNL     1       3.754  -4.864  -1.767  1.00  0.00           H  
HETATM   56  H   UNL     1       5.295  -5.195  -0.908  1.00  0.00           H  
HETATM   57  H   UNL     1       2.455  -5.251   0.155  1.00  0.00           H  
HETATM   58  H   UNL     1       3.856  -6.256   0.630  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.883   3.587  -1.086  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.025   2.558  -2.258  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.466   1.910  -0.660  1.00  0.00           H  
HETATM   62  H   UNL     1       0.183   5.093  -0.030  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.048   4.934  -1.788  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.432   5.330  -0.741  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.207  -2.726  -0.215  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.989  -3.671   1.074  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.975  -2.938  -0.214  1.00  0.00           H  
HETATM   68  H   UNL     1      -7.383   1.878   0.838  1.00  0.00           H  
HETATM   69  H   UNL     1      -7.934   2.248  -0.814  1.00  0.00           H  
HETATM   70  H   UNL     1      -9.124   2.005   0.487  1.00  0.00           H  
HETATM   71  H   UNL     1      -9.482  -0.276   1.443  1.00  0.00           H  
HETATM   72  H   UNL     1      -8.547  -1.658   0.822  1.00  0.00           H  
HETATM   73  H   UNL     1      -7.741  -0.402   1.793  1.00  0.00           H  
HETATM   74  H   UNL     1      -9.064   0.486  -2.177  1.00  0.00           H  
HETATM   75  H   UNL     1      -9.319  -1.139  -1.497  1.00  0.00           H  
HETATM   76  H   UNL     1     -10.254   0.243  -0.876  1.00  0.00           H  
HETATM   77  H   UNL     1       4.401   3.404   0.140  1.00  0.00           H  
HETATM   78  H   UNL     1       6.156   3.265  -0.126  1.00  0.00           H  
HETATM   79  H   UNL     1      -2.132  -0.479   2.763  1.00  0.00           H  
HETATM   80  H   UNL     1      -1.880  -2.241   2.766  1.00  0.00           H  
HETATM   81  H   UNL     1      -1.126  -1.237   1.505  1.00  0.00           H  
HETATM   82  H   UNL     1      -5.369  -1.785   1.510  1.00  0.00           H  
HETATM   83  H   UNL     1      -4.384  -2.519   2.798  1.00  0.00           H  
HETATM   84  H   UNL     1      -4.595  -0.753   2.736  1.00  0.00           H  
HETATM   85  H   UNL     1       1.375   2.689  -0.964  1.00  0.00           H  
HETATM   86  H   UNL     1       5.092   2.266   2.561  1.00  0.00           H  
HETATM   87  H   UNL     1       7.606   3.869   1.587  1.00  0.00           H  
HETATM   88  H   UNL     1       7.325   3.224   3.292  1.00  0.00           H  
HETATM   89  H   UNL     1       5.617  -0.960  -1.121  1.00  0.00           H  
HETATM   90  H   UNL     1      -4.536  -0.865  -1.378  1.00  0.00           H  
HETATM   91  H   UNL     1       2.340   0.196  -2.207  1.00  0.00           H  
HETATM   92  H   UNL     1       5.198   0.780   0.813  1.00  0.00           H  
HETATM   93  H   UNL     1       3.663  -4.512   2.406  1.00  0.00           H  
HETATM   94  H   UNL     1      -6.842  -0.614  -1.642  1.00  0.00           H  
HETATM   95  H   UNL     1       3.905  -0.102  -3.303  1.00  0.00           H  
CONECT    1   35   30   42   42                                       
CONECT    2   23   32    3   44                                       
CONECT    3    2   33   40   40                                       
CONECT    4    7   33   45   46                                       
CONECT    5   33   26    6   47                                       
CONECT    6   41   41    5   34                                       
CONECT    7    4   26    9   48                                       
CONECT    8   34   30   10   49                                       
CONECT    9    7   26   17   15                                       
CONECT   10    8   12   50   51                                       
CONECT   11   28   27   52   53                                       
CONECT   12   13   10   16   54                                       
CONECT   13   14   12   55   56                                       
CONECT   14   13   36   57   58                                       
CONECT   15    9   59   60   61                                       
CONECT   16   12   36   38   38                                       
CONECT   17    9   62   63   64                                       
CONECT   18   23   65   66   67                                       
CONECT   19   29   68   69   70                                       
CONECT   20   29   71   72   73                                       
CONECT   21   29   74   75   76                                       
CONECT   22   27   35   77   78                                       
CONECT   23   24   25    2   18                                       
CONECT   24   23   79   80   81                                       
CONECT   25   23   82   83   84                                       
CONECT   26    7    9    5   85                                       
CONECT   27   11   28   22   86                                       
CONECT   28   11   27   87   88                                       
CONECT   29   20   19   37   21                                       
CONECT   30   43    1    8   89                                       
CONECT   31   39   39   32   37                                       
CONECT   32    2   31   90                                            
CONECT   33    4    3    5                                            
CONECT   34    6    8   91                                            
CONECT   35   22    1   92                                            
CONECT   36   14   16   93                                            
CONECT   37   31   29   94                                            
CONECT   38   16   16                                                 
CONECT   39   31   31                                                 
CONECT   40    3    3                                                 
CONECT   41    6    6                                                 
CONECT   42    1    1                                                 
CONECT   43   30   95                                                 
CONECT   44    2                                                      
CONECT   45    4                                                      
CONECT   46    4                                                      
CONECT   47    5                                                      
CONECT   48    7                                                      
CONECT   49    8                                                      
CONECT   50   10                                                      
CONECT   51   10                                                      
CONECT   52   11                                                      
CONECT   53   11                                                      
CONECT   54   12                                                      
CONECT   55   13                                                      
CONECT   56   13                                                      
CONECT   57   14                                                      
CONECT   58   14                                                      
CONECT   59   15                                                      
CONECT   60   15                                                      
CONECT   61   15                                                      
CONECT   62   17                                                      
CONECT   63   17                                                      
CONECT   64   17                                                      
CONECT   65   18                                                      
CONECT   66   18                                                      
CONECT   67   18                                                      
CONECT   68   19                                                      
CONECT   69   19                                                      
CONECT   70   19                                                      
CONECT   71   20                                                      
CONECT   72   20                                                      
CONECT   73   20                                                      
CONECT   74   21                                                      
CONECT   75   21                                                      
CONECT   76   21                                                      
CONECT   77   22                                                      
CONECT   78   22                                                      
CONECT   79   24                                                      
CONECT   80   24                                                      
CONECT   81   24                                                      
CONECT   82   25                                                      
CONECT   83   25                                                      
CONECT   84   25                                                      
CONECT   85   26                                                      
CONECT   86   27                                                      
CONECT   87   28                                                      
CONECT   88   28                                                      
CONECT   89   30                                                      
CONECT   90   32                                                      
CONECT   91   34                                                      
CONECT   92   35                                                      
CONECT   93   36                                                      
CONECT   94   37                                                      
CONECT   95   43                                                      
MASTER        0    0    0    0    0    0    0    0   95    0   95    0
END
