COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -0.694  -2.210  -0.901  1.00  0.00           N  
HETATM    2  O   UNL     1       0.538   2.999   1.048  1.00  0.00           O  
HETATM    3  O   UNL     1       0.568   0.987   3.295  1.00  0.00           O  
HETATM    4  N   UNL     1      -0.167  -1.219   1.208  1.00  0.00           N  
HETATM    5  N   UNL     1      -0.655   0.092  -0.614  1.00  0.00           N  
HETATM    6  C   UNL     1      -0.514  -1.140  -0.146  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.881   0.427  -1.345  1.00  0.00           C  
HETATM    8  C   UNL     1       0.361   1.135  -0.438  1.00  0.00           C  
HETATM    9  C   UNL     1       0.196   1.613   0.985  1.00  0.00           C  
HETATM   10  C   UNL     1       1.085   0.835   1.972  1.00  0.00           C  
HETATM   11  C   UNL     1       1.100  -0.655   1.599  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.053  -1.854   2.187  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.684   0.145  -2.812  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.994  -1.100  -3.324  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.813  -1.358  -4.670  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.323  -0.371  -5.504  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.013   0.875  -4.992  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.198   1.134  -3.646  1.00  0.00           C  
HETATM   19  C   UNL     1       1.761   0.555  -0.645  1.00  0.00           C  
HETATM   20  C   UNL     1       2.285   0.974  -1.994  1.00  0.00           C  
HETATM   21  C   UNL     1       3.004   2.148  -2.122  1.00  0.00           C  
HETATM   22  C   UNL     1       3.485   2.532  -3.360  1.00  0.00           C  
HETATM   23  C   UNL     1       3.246   1.743  -4.469  1.00  0.00           C  
HETATM   24  C   UNL     1       2.528   0.569  -4.341  1.00  0.00           C  
HETATM   25  C   UNL     1       2.051   0.182  -3.103  1.00  0.00           C  
HETATM   26  C   UNL     1       1.621  -1.440   2.804  1.00  0.00           C  
HETATM   27  C   UNL     1       3.031  -1.007   3.114  1.00  0.00           C  
HETATM   28  C   UNL     1       3.258  -0.015   4.050  1.00  0.00           C  
HETATM   29  C   UNL     1       4.551   0.382   4.335  1.00  0.00           C  
HETATM   30  C   UNL     1       5.617  -0.211   3.684  1.00  0.00           C  
HETATM   31  C   UNL     1       5.389  -1.203   2.749  1.00  0.00           C  
HETATM   32  C   UNL     1       4.096  -1.604   2.467  1.00  0.00           C  
HETATM   33  C   UNL     1      -2.086  -0.859   2.649  1.00  0.00           C  
HETATM   34  C   UNL     1      -3.289  -0.750   1.976  1.00  0.00           C  
HETATM   35  C   UNL     1      -4.237   0.162   2.400  1.00  0.00           C  
HETATM   36  C   UNL     1      -3.983   0.964   3.496  1.00  0.00           C  
HETATM   37  C   UNL     1      -2.778   0.858   4.166  1.00  0.00           C  
HETATM   38  C   UNL     1      -1.832  -0.056   3.745  1.00  0.00           C  
HETATM   39  C   UNL     1      -0.536  -3.447  -0.371  1.00  0.00           C  
HETATM   40  N   UNL     1      -0.404  -4.484   0.072  1.00  0.00           N  
HETATM   41  C   UNL     1      -5.017   1.958   3.958  1.00  0.00           C  
HETATM   42  C   UNL     1      -1.125  -0.653  -6.971  1.00  0.00           C  
HETATM   43  O   UNL     1      -5.881   1.338   4.912  1.00  0.00           O  
HETATM   44  O   UNL     1      -2.320  -0.327  -7.684  1.00  0.00           O  
HETATM   45  H   UNL     1       0.379   3.285   1.958  1.00  0.00           H  
HETATM   46  H   UNL     1       0.575   1.934   3.491  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.705  -0.176  -0.966  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.110   1.483  -1.205  1.00  0.00           H  
HETATM   49  H   UNL     1       0.186   1.955  -1.135  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.846   1.493   1.279  1.00  0.00           H  
HETATM   51  H   UNL     1       2.101   1.228   1.932  1.00  0.00           H  
HETATM   52  H   UNL     1       1.802  -0.793   0.776  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.467  -2.192   3.042  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.550  -2.708   1.727  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.377  -1.871  -2.673  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.055  -2.332  -5.070  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.630   1.646  -5.643  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.956   2.108  -3.246  1.00  0.00           H  
HETATM   59  H   UNL     1       2.427   0.926   0.134  1.00  0.00           H  
HETATM   60  H   UNL     1       1.715  -0.532  -0.595  1.00  0.00           H  
HETATM   61  H   UNL     1       3.190   2.764  -1.255  1.00  0.00           H  
HETATM   62  H   UNL     1       4.046   3.450  -3.460  1.00  0.00           H  
HETATM   63  H   UNL     1       3.621   2.044  -5.437  1.00  0.00           H  
HETATM   64  H   UNL     1       2.342  -0.047  -5.208  1.00  0.00           H  
HETATM   65  H   UNL     1       1.490  -0.734  -3.002  1.00  0.00           H  
HETATM   66  H   UNL     1       0.984  -1.248   3.667  1.00  0.00           H  
HETATM   67  H   UNL     1       1.611  -2.506   2.575  1.00  0.00           H  
HETATM   68  H   UNL     1       2.426   0.448   4.559  1.00  0.00           H  
HETATM   69  H   UNL     1       4.729   1.157   5.066  1.00  0.00           H  
HETATM   70  H   UNL     1       6.627   0.099   3.906  1.00  0.00           H  
HETATM   71  H   UNL     1       6.221  -1.667   2.240  1.00  0.00           H  
HETATM   72  H   UNL     1       3.918  -2.379   1.737  1.00  0.00           H  
HETATM   73  H   UNL     1      -3.488  -1.377   1.120  1.00  0.00           H  
HETATM   74  H   UNL     1      -5.177   0.247   1.874  1.00  0.00           H  
HETATM   75  H   UNL     1      -2.579   1.485   5.022  1.00  0.00           H  
HETATM   76  H   UNL     1      -0.892  -0.141   4.270  1.00  0.00           H  
HETATM   77  H   UNL     1      -5.603   2.297   3.104  1.00  0.00           H  
HETATM   78  H   UNL     1      -4.520   2.812   4.419  1.00  0.00           H  
HETATM   79  H   UNL     1      -0.300  -0.049  -7.349  1.00  0.00           H  
HETATM   80  H   UNL     1      -0.895  -1.709  -7.110  1.00  0.00           H  
HETATM   81  H   UNL     1      -6.526   2.007   5.182  1.00  0.00           H  
HETATM   82  H   UNL     1      -2.151  -0.522  -8.616  1.00  0.00           H  
CONECT    1    6    6   39                                            
CONECT    2    9   45                                                 
CONECT    3   10   46                                                 
CONECT    4    6   11   12                                            
CONECT    5    6    7    8                                            
CONECT    6    1    1    4    5                                       
CONECT    7    5   13   47   48                                       
CONECT    8    5    9   19   49                                       
CONECT    9    2    8   10   50                                       
CONECT   10    3    9   11   51                                       
CONECT   11    4   10   26   52                                       
CONECT   12    4   33   53   54                                       
CONECT   13    7   14   14   18                                       
CONECT   14   13   13   15   55                                       
CONECT   15   14   16   16   56                                       
CONECT   16   15   15   17   42                                       
CONECT   17   16   18   18   57                                       
CONECT   18   13   17   17   58                                       
CONECT   19    8   20   59   60                                       
CONECT   20   19   21   21   25                                       
CONECT   21   20   20   22   61                                       
CONECT   22   21   23   23   62                                       
CONECT   23   22   22   24   63                                       
CONECT   24   23   25   25   64                                       
CONECT   25   20   24   24   65                                       
CONECT   26   11   27   66   67                                       
CONECT   27   26   28   28   32                                       
CONECT   28   27   27   29   68                                       
CONECT   29   28   30   30   69                                       
CONECT   30   29   29   31   70                                       
CONECT   31   30   32   32   71                                       
CONECT   32   27   31   31   72                                       
CONECT   33   12   34   34   38                                       
CONECT   34   33   33   35   73                                       
CONECT   35   34   36   36   74                                       
CONECT   36   35   35   37   41                                       
CONECT   37   36   38   38   75                                       
CONECT   38   33   37   37   76                                       
CONECT   39    1   40   40   40                                       
CONECT   40   39   39   39                                            
CONECT   41   36   43   77   78                                       
CONECT   42   16   44   79   80                                       
CONECT   43   41   81                                                 
CONECT   44   42   82                                                 
CONECT   45    2                                                      
CONECT   46    3                                                      
CONECT   47    7                                                      
CONECT   48    7                                                      
CONECT   49    8                                                      
CONECT   50    9                                                      
CONECT   51   10                                                      
CONECT   52   11                                                      
CONECT   53   12                                                      
CONECT   54   12                                                      
CONECT   55   14                                                      
CONECT   56   15                                                      
CONECT   57   17                                                      
CONECT   58   18                                                      
CONECT   59   19                                                      
CONECT   60   19                                                      
CONECT   61   21                                                      
CONECT   62   22                                                      
CONECT   63   23                                                      
CONECT   64   24                                                      
CONECT   65   25                                                      
CONECT   66   26                                                      
CONECT   67   26                                                      
CONECT   68   28                                                      
CONECT   69   29                                                      
CONECT   70   30                                                      
CONECT   71   31                                                      
CONECT   72   32                                                      
CONECT   73   34                                                      
CONECT   74   35                                                      
CONECT   75   37                                                      
CONECT   76   38                                                      
CONECT   77   41                                                      
CONECT   78   41                                                      
CONECT   79   42                                                      
CONECT   80   42                                                      
CONECT   81   43                                                      
CONECT   82   44                                                      
MASTER        0    0    0    0    0    0    0    0   82    0   82    0
END
