COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.159  -0.881   0.651  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.496  -0.146   0.778  1.00  0.00           C  
HETATM    3  O   UNL     1      -2.553   0.522   2.039  1.00  0.00           O  
HETATM    4  C   UNL     1      -4.012   1.518  -0.304  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.053   0.480  -0.636  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.084   2.657  -1.324  1.00  0.00           C  
HETATM    7  C   UNL     1      -7.369  -0.193  -0.980  1.00  0.00           C  
HETATM    8  C   UNL     1      -8.759   0.445  -0.935  1.00  0.00           C  
HETATM    9  C   UNL     1      -9.816  -0.609  -1.272  1.00  0.00           C  
HETATM   10  C   UNL     1     -11.205   0.030  -1.226  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.033  -1.907   1.778  1.00  0.00           C  
HETATM   12  C   UNL     1       0.225  -2.715   1.583  1.00  0.00           C  
HETATM   13  C   UNL     1       1.413  -2.291   2.148  1.00  0.00           C  
HETATM   14  C   UNL     1       2.566  -3.031   1.969  1.00  0.00           C  
HETATM   15  C   UNL     1       2.532  -4.196   1.226  1.00  0.00           C  
HETATM   16  C   UNL     1       1.343  -4.620   0.661  1.00  0.00           C  
HETATM   17  C   UNL     1       0.189  -3.882   0.844  1.00  0.00           C  
HETATM   18  C   UNL     1       1.131  -0.196   0.179  1.00  0.00           C  
HETATM   19  C   UNL     1       2.242   0.780   0.273  1.00  0.00           C  
HETATM   20  C   UNL     1       3.484   0.508  -0.305  1.00  0.00           C  
HETATM   21  C   UNL     1       4.500   1.450  -0.195  1.00  0.00           C  
HETATM   22  C   UNL     1       3.136   2.886   1.001  1.00  0.00           C  
HETATM   23  C   UNL     1       2.072   1.999   0.936  1.00  0.00           C  
HETATM   24  C   UNL     1       4.116   4.939   1.685  1.00  0.00           C  
HETATM   25  C   UNL     1       5.972  -0.068  -1.476  1.00  0.00           C  
HETATM   26  C   UNL     1       7.408  -0.101  -2.003  1.00  0.00           C  
HETATM   27  C   UNL     1       7.650  -1.417  -2.745  1.00  0.00           C  
HETATM   28  C   UNL     1       9.086  -1.449  -3.272  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.622   0.880  -0.350  1.00  0.00           C  
HETATM   30  N   UNL     1      -0.061   0.084   0.743  1.00  0.00           N  
HETATM   31  N   UNL     1      -6.358   0.817  -0.657  1.00  0.00           N  
HETATM   32  N   UNL     1       4.300   2.592   0.446  1.00  0.00           N  
HETATM   33  N   UNL     1       5.741   1.191  -0.765  1.00  0.00           N  
HETATM   34  O   UNL     1      -4.716  -0.658  -0.885  1.00  0.00           O  
HETATM   35  O   UNL     1       1.294  -1.248  -0.405  1.00  0.00           O  
HETATM   36  O   UNL     1       2.983   4.070   1.646  1.00  0.00           O  
HETATM   37  H   UNL     1      -1.115  -1.391  -0.312  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.313  -0.864   0.709  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.854   1.177   2.170  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.198   1.913   0.694  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.290   3.376  -1.123  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.962   2.253  -2.329  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.052   3.153  -1.247  1.00  0.00           H  
HETATM   44  H   UNL     1      -7.318  -1.004  -0.254  1.00  0.00           H  
HETATM   45  H   UNL     1      -7.183  -0.587  -1.979  1.00  0.00           H  
HETATM   46  H   UNL     1      -8.945   0.840   0.064  1.00  0.00           H  
HETATM   47  H   UNL     1      -8.810   1.256  -1.661  1.00  0.00           H  
HETATM   48  H   UNL     1      -9.629  -1.003  -2.271  1.00  0.00           H  
HETATM   49  H   UNL     1      -9.764  -1.420  -0.545  1.00  0.00           H  
HETATM   50  H   UNL     1     -11.392   0.424  -0.228  1.00  0.00           H  
HETATM   51  H   UNL     1     -11.257   0.840  -1.953  1.00  0.00           H  
HETATM   52  H   UNL     1     -11.958  -0.721  -1.467  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.987  -1.390   2.737  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.897  -2.572   1.764  1.00  0.00           H  
HETATM   55  H   UNL     1       1.440  -1.381   2.729  1.00  0.00           H  
HETATM   56  H   UNL     1       3.495  -2.700   2.411  1.00  0.00           H  
HETATM   57  H   UNL     1       3.433  -4.775   1.086  1.00  0.00           H  
HETATM   58  H   UNL     1       1.316  -5.530   0.079  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.739  -4.214   0.403  1.00  0.00           H  
HETATM   60  H   UNL     1       3.653  -0.421  -0.829  1.00  0.00           H  
HETATM   61  H   UNL     1       1.124   2.246   1.391  1.00  0.00           H  
HETATM   62  H   UNL     1       3.858   5.848   2.229  1.00  0.00           H  
HETATM   63  H   UNL     1       4.943   4.437   2.187  1.00  0.00           H  
HETATM   64  H   UNL     1       4.411   5.197   0.668  1.00  0.00           H  
HETATM   65  H   UNL     1       5.277  -0.147  -2.312  1.00  0.00           H  
HETATM   66  H   UNL     1       5.816  -0.904  -0.794  1.00  0.00           H  
HETATM   67  H   UNL     1       7.565   0.735  -2.685  1.00  0.00           H  
HETATM   68  H   UNL     1       8.104  -0.023  -1.167  1.00  0.00           H  
HETATM   69  H   UNL     1       7.494  -2.253  -2.063  1.00  0.00           H  
HETATM   70  H   UNL     1       6.955  -1.495  -3.581  1.00  0.00           H  
HETATM   71  H   UNL     1       9.242  -0.614  -3.954  1.00  0.00           H  
HETATM   72  H   UNL     1       9.781  -1.371  -2.436  1.00  0.00           H  
HETATM   73  H   UNL     1       9.258  -2.387  -3.801  1.00  0.00           H  
HETATM   74  H   UNL     1      -1.864   1.653  -0.225  1.00  0.00           H  
HETATM   75  H   UNL     1      -2.481   0.384  -1.310  1.00  0.00           H  
HETATM   76  H   UNL     1      -0.191   0.924   1.210  1.00  0.00           H  
HETATM   77  H   UNL     1      -6.627   1.727  -0.459  1.00  0.00           H  
HETATM   78  H   UNL     1       6.454   1.845  -0.692  1.00  0.00           H  
CONECT    1    2   11   30   37                                       
CONECT    2   29    1    3   38                                       
CONECT    3    2   39                                                 
CONECT    4    5    6   29   40                                       
CONECT    5   31   34   34    4                                       
CONECT    6    4   41   42   43                                       
CONECT    7    8   31   44   45                                       
CONECT    8    9    7   46   47                                       
CONECT    9   10    8   48   49                                       
CONECT   10    9   50   51   52                                       
CONECT   11    1   12   53   54                                       
CONECT   12   17   11   13   13                                       
CONECT   13   12   12   14   55                                       
CONECT   14   15   15   13   56                                       
CONECT   15   16   14   14   57                                       
CONECT   16   17   17   15   58                                       
CONECT   17   16   16   12   59                                       
CONECT   18   35   35   30   19                                       
CONECT   19   18   23   23   20                                       
CONECT   20   19   21   21   60                                       
CONECT   21   20   20   32   33                                       
CONECT   22   23   36   32   32                                       
CONECT   23   19   19   22   61                                       
CONECT   24   36   62   63   64                                       
CONECT   25   33   26   65   66                                       
CONECT   26   25   27   67   68                                       
CONECT   27   26   28   69   70                                       
CONECT   28   27   71   72   73                                       
CONECT   29    4    2   74   75                                       
CONECT   30    1   18   76                                            
CONECT   31    7    5   77                                            
CONECT   32   22   22   21                                            
CONECT   33   21   25   78                                            
CONECT   34    5    5                                                 
CONECT   35   18   18                                                 
CONECT   36   24   22                                                 
CONECT   37    1                                                      
CONECT   38    2                                                      
CONECT   39    3                                                      
CONECT   40    4                                                      
CONECT   41    6                                                      
CONECT   42    6                                                      
CONECT   43    6                                                      
CONECT   44    7                                                      
CONECT   45    7                                                      
CONECT   46    8                                                      
CONECT   47    8                                                      
CONECT   48    9                                                      
CONECT   49    9                                                      
CONECT   50   10                                                      
CONECT   51   10                                                      
CONECT   52   10                                                      
CONECT   53   11                                                      
CONECT   54   11                                                      
CONECT   55   13                                                      
CONECT   56   14                                                      
CONECT   57   15                                                      
CONECT   58   16                                                      
CONECT   59   17                                                      
CONECT   60   20                                                      
CONECT   61   23                                                      
CONECT   62   24                                                      
CONECT   63   24                                                      
CONECT   64   24                                                      
CONECT   65   25                                                      
CONECT   66   25                                                      
CONECT   67   26                                                      
CONECT   68   26                                                      
CONECT   69   27                                                      
CONECT   70   27                                                      
CONECT   71   28                                                      
CONECT   72   28                                                      
CONECT   73   28                                                      
CONECT   74   29                                                      
CONECT   75   29                                                      
CONECT   76   30                                                      
CONECT   77   31                                                      
CONECT   78   33                                                      
MASTER        0    0    0    0    0    0    0    0   78    0   78    0
END
