COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.251   6.905   0.158  1.00  0.00           C  
HETATM    2  C   UNL     1       1.181   4.555   0.608  1.00  0.00           C  
HETATM    3  C   UNL     1       1.678   3.158   0.336  1.00  0.00           C  
HETATM    4  C   UNL     1       2.828   0.842  -0.443  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.155  -3.354   0.635  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.473  -2.636   1.225  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.327  -2.732  -2.057  1.00  0.00           C  
HETATM    8  C   UNL     1      -7.372   0.492  -1.303  1.00  0.00           C  
HETATM    9  C   UNL     1       2.125  -3.793   1.372  1.00  0.00           C  
HETATM   10  C   UNL     1       4.494  -4.528   1.765  1.00  0.00           C  
HETATM   11  C   UNL     1       6.348  -3.253   0.650  1.00  0.00           C  
HETATM   12  O   UNL     1      -0.323   3.717   2.249  1.00  0.00           O  
HETATM   13  N   UNL     1       1.264  -2.994   0.702  1.00  0.00           N  
HETATM   14  C   UNL     1      -0.265   6.053   1.804  1.00  0.00           C  
HETATM   15  O   UNL     1      -5.534   0.703   1.787  1.00  0.00           O1-
HETATM   16  N   UNL     1      -5.645  -0.723  -0.733  1.00  0.00           N  
HETATM   17  C   UNL     1       3.240   2.014  -1.046  1.00  0.00           C  
HETATM   18  C   UNL     1       3.406  -0.374  -0.818  1.00  0.00           C  
HETATM   19  C   UNL     1       2.969  -1.629  -0.178  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.994  -2.241   1.267  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.922  -2.328  -0.771  1.00  0.00           C  
HETATM   22  C   UNL     1      -6.067  -1.098  -1.982  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.565  -3.537  -0.828  1.00  0.00           C  
HETATM   24  C   UNL     1       5.921  -3.988   1.919  1.00  0.00           C  
HETATM   25  C   UNL     1       5.379  -2.102   0.352  1.00  0.00           C  
HETATM   26  C   UNL     1       3.977  -2.679   0.185  1.00  0.00           C  
HETATM   27  C   UNL     1       4.397  -0.398  -1.802  1.00  0.00           C  
HETATM   28  C   UNL     1       4.803   0.777  -2.400  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.344   4.009   3.206  1.00  0.00           C  
HETATM   30  C   UNL     1       0.198   4.768   1.562  1.00  0.00           C  
HETATM   31  C   UNL     1       0.266   7.120   1.105  1.00  0.00           C  
HETATM   32  C   UNL     1       1.706   5.624  -0.092  1.00  0.00           C  
HETATM   33  O   UNL     1       2.683   3.200  -0.680  1.00  0.00           O  
HETATM   34  N   UNL     1       1.712  -1.829   0.074  1.00  0.00           N  
HETATM   35  N   UNL     1      -2.839  -2.954  -0.162  1.00  0.00           N  
HETATM   36  C   UNL     1      -5.384  -2.126  -2.660  1.00  0.00           C  
HETATM   37  N   UNL     1      -7.113  -0.349  -2.305  1.00  0.00           N  
HETATM   38  C   UNL     1      -6.471   0.276  -0.315  1.00  0.00           C  
HETATM   39  N   UNL     1      -6.397   0.993   0.979  1.00  0.00           N1+
HETATM   40  O   UNL     1      -7.200   1.873   1.234  1.00  0.00           O  
HETATM   41  N   UNL     1      -4.555  -1.367  -0.140  1.00  0.00           N  
HETATM   42  C   UNL     1      -2.040  -3.947  -0.893  1.00  0.00           C  
HETATM   43  O   UNL     1       1.751  -4.840   1.859  1.00  0.00           O  
HETATM   44  C   UNL     1       3.558  -3.355   1.493  1.00  0.00           C  
HETATM   45  C   UNL     1       4.226   1.983  -2.031  1.00  0.00           C  
HETATM   46  O   UNL     1       4.630   3.138  -2.623  1.00  0.00           O  
HETATM   47  C   UNL     1       5.644   3.033  -3.624  1.00  0.00           C  
HETATM   48  H   UNL     1       1.661   7.740  -0.391  1.00  0.00           H  
HETATM   49  H   UNL     1       2.101   2.739   1.248  1.00  0.00           H  
HETATM   50  H   UNL     1       0.848   2.536   0.001  1.00  0.00           H  
HETATM   51  H   UNL     1       2.064   0.865   0.321  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.319  -4.285   1.177  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.636  -3.510   1.856  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.083  -1.807   1.583  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.795  -3.522  -2.566  1.00  0.00           H  
HETATM   56  H   UNL     1      -8.167   1.223  -1.283  1.00  0.00           H  
HETATM   57  H   UNL     1       4.456  -5.229   0.931  1.00  0.00           H  
HETATM   58  H   UNL     1       4.190  -5.034   2.682  1.00  0.00           H  
HETATM   59  H   UNL     1       7.353  -2.853   0.785  1.00  0.00           H  
HETATM   60  H   UNL     1       6.347  -3.951  -0.187  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.033   6.221   2.544  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.685  -2.096   2.302  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.849  -1.315   0.710  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.424  -2.599  -1.365  1.00  0.00           H  
HETATM   65  H   UNL     1       0.049  -4.313  -1.284  1.00  0.00           H  
HETATM   66  H   UNL     1       5.958  -3.301   2.764  1.00  0.00           H  
HETATM   67  H   UNL     1       6.603  -4.819   2.102  1.00  0.00           H  
HETATM   68  H   UNL     1       5.387  -1.394   1.180  1.00  0.00           H  
HETATM   69  H   UNL     1       5.680  -1.599  -0.567  1.00  0.00           H  
HETATM   70  H   UNL     1       3.998  -3.435  -0.600  1.00  0.00           H  
HETATM   71  H   UNL     1       4.845  -1.336  -2.094  1.00  0.00           H  
HETATM   72  H   UNL     1       5.570   0.757  -3.160  1.00  0.00           H  
HETATM   73  H   UNL     1      -0.949   4.687   3.963  1.00  0.00           H  
HETATM   74  H   UNL     1      -2.190   4.478   2.703  1.00  0.00           H  
HETATM   75  H   UNL     1      -1.671   3.084   3.682  1.00  0.00           H  
HETATM   76  H   UNL     1      -0.088   8.122   1.298  1.00  0.00           H  
HETATM   77  H   UNL     1       2.472   5.459  -0.835  1.00  0.00           H  
HETATM   78  H   UNL     1      -5.696  -2.430  -3.649  1.00  0.00           H  
HETATM   79  H   UNL     1      -2.364  -3.982  -1.933  1.00  0.00           H  
HETATM   80  H   UNL     1      -2.167  -4.928  -0.435  1.00  0.00           H  
HETATM   81  H   UNL     1       3.645  -2.630   2.302  1.00  0.00           H  
HETATM   82  H   UNL     1       6.543   2.598  -3.186  1.00  0.00           H  
HETATM   83  H   UNL     1       5.290   2.396  -4.435  1.00  0.00           H  
HETATM   84  H   UNL     1       5.873   4.024  -4.014  1.00  0.00           H  
CONECT    1   31   32   32   48                                       
CONECT    2   30   30   32    3                                       
CONECT    3   33    2   49   50                                       
CONECT    4   18   17   17   51                                       
CONECT    5   13   20   23   52                                       
CONECT    6   35   20   53   54                                       
CONECT    7   21   36   36   55                                       
CONECT    8   38   38   37   56                                       
CONECT    9   43   43   44   13                                       
CONECT   10   24   44   57   58                                       
CONECT   11   24   25   59   60                                       
CONECT   12   29   30                                                 
CONECT   13    9    5   34                                            
CONECT   14   31   31   30   61                                       
CONECT   15   39                                                      
CONECT   16   41   22   38                                            
CONECT   17    4    4   45   33                                       
CONECT   18   19   27   27    4                                       
CONECT   19   26   34   34   18                                       
CONECT   20    5    6   62   63                                       
CONECT   21   35    7   41   41                                       
CONECT   22   36   16   37   37                                       
CONECT   23   42    5   64   65                                       
CONECT   24   10   11   66   67                                       
CONECT   25   11   26   68   69                                       
CONECT   26   44   25   19   70                                       
CONECT   27   18   18   28   71                                       
CONECT   28   27   45   45   72                                       
CONECT   29   12   73   74   75                                       
CONECT   30   14   12    2    2                                       
CONECT   31   14   14    1   76                                       
CONECT   32    1    1    2   77                                       
CONECT   33   17    3                                                 
CONECT   34   13   19   19                                            
CONECT   35   42    6   21                                            
CONECT   36    7    7   22   78                                       
CONECT   37   22   22    8                                            
CONECT   38   16   39    8    8                                       
CONECT   39   15   38   40   40                                       
CONECT   40   39   39                                                 
CONECT   41   21   21   16                                            
CONECT   42   35   23   79   80                                       
CONECT   43    9    9                                                 
CONECT   44   10    9   26   81                                       
CONECT   45   28   28   17   46                                       
CONECT   46   45   47                                                 
CONECT   47   46   82   83   84                                       
CONECT   48    1                                                      
CONECT   49    3                                                      
CONECT   50    3                                                      
CONECT   51    4                                                      
CONECT   52    5                                                      
CONECT   53    6                                                      
CONECT   54    6                                                      
CONECT   55    7                                                      
CONECT   56    8                                                      
CONECT   57   10                                                      
CONECT   58   10                                                      
CONECT   59   11                                                      
CONECT   60   11                                                      
CONECT   61   14                                                      
CONECT   62   20                                                      
CONECT   63   20                                                      
CONECT   64   23                                                      
CONECT   65   23                                                      
CONECT   66   24                                                      
CONECT   67   24                                                      
CONECT   68   25                                                      
CONECT   69   25                                                      
CONECT   70   26                                                      
CONECT   71   27                                                      
CONECT   72   28                                                      
CONECT   73   29                                                      
CONECT   74   29                                                      
CONECT   75   29                                                      
CONECT   76   31                                                      
CONECT   77   32                                                      
CONECT   78   36                                                      
CONECT   79   42                                                      
CONECT   80   42                                                      
CONECT   81   44                                                      
CONECT   82   47                                                      
CONECT   83   47                                                      
CONECT   84   47                                                      
MASTER        0    0    0    0    0    0    0    0   84    0   84    0
END
