COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.927   0.076  -1.967  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.555   0.056  -3.261  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.928  -0.215  -4.355  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.131  -1.033  -5.576  1.00  0.00           C  
HETATM    5  O   UNL     1      -2.891  -2.234  -5.423  1.00  0.00           O  
HETATM    6  C   UNL     1      -1.481  -2.425  -5.546  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.740  -2.764  -4.305  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.315  -2.614  -3.205  1.00  0.00           C  
HETATM    9  C   UNL     1       0.334  -2.158  -2.015  1.00  0.00           C  
HETATM   10  C   UNL     1       0.040  -0.925  -1.480  1.00  0.00           C  
HETATM   11  C   UNL     1       0.675  -0.340  -0.231  1.00  0.00           C  
HETATM   12  O   UNL     1       1.951   0.228  -0.533  1.00  0.00           O  
HETATM   13  C   UNL     1      -0.322   0.754   0.194  1.00  0.00           C  
HETATM   14  O   UNL     1      -1.158   0.280   1.282  1.00  0.00           O  
HETATM   15  C   UNL     1      -1.156   1.018  -1.034  1.00  0.00           C  
HETATM   16  C   UNL     1       2.680   0.282   0.694  1.00  0.00           C  
HETATM   17  O   UNL     1       3.081  -1.035   1.066  1.00  0.00           O  
HETATM   18  C   UNL     1       3.914   1.167   0.510  1.00  0.00           C  
HETATM   19  N   UNL     1       3.494   2.528   0.152  1.00  0.00           N  
HETATM   20  C   UNL     1       3.334   3.266   1.412  1.00  0.00           C  
HETATM   21  C   UNL     1       4.784   0.587  -0.610  1.00  0.00           C  
HETATM   22  O   UNL     1       6.010   1.317  -0.692  1.00  0.00           O  
HETATM   23  C   UNL     1       5.078  -0.882  -0.293  1.00  0.00           C  
HETATM   24  O   UNL     1       5.894  -0.965   0.876  1.00  0.00           O  
HETATM   25  C   UNL     1       3.755  -1.613  -0.050  1.00  0.00           C  
HETATM   26  C   UNL     1       4.035  -3.090   0.236  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.640   1.152   2.191  1.00  0.00           C  
HETATM   28  O   UNL     1      -1.375   2.335   2.099  1.00  0.00           O  
HETATM   29  C   UNL     1      -2.485   0.672   3.291  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.874   0.605   3.148  1.00  0.00           C  
HETATM   31  O   UNL     1      -4.450   0.986   1.982  1.00  0.00           O  
HETATM   32  C   UNL     1      -4.669   0.148   4.199  1.00  0.00           C  
HETATM   33  C   UNL     1      -4.134  -0.243   5.385  1.00  0.00           C  
HETATM   34  C   UNL     1      -2.744  -0.200   5.598  1.00  0.00           C  
HETATM   35  C   UNL     1      -1.892   0.249   4.560  1.00  0.00           C  
HETATM   36  C   UNL     1      -0.511   0.299   4.770  1.00  0.00           C  
HETATM   37  C   UNL     1       0.005  -0.102   5.983  1.00  0.00           C  
HETATM   38  O   UNL     1       1.347  -0.061   6.190  1.00  0.00           O  
HETATM   39  C   UNL     1       1.575  -0.532   7.519  1.00  0.00           C  
HETATM   40  C   UNL     1      -0.838  -0.552   7.002  1.00  0.00           C  
HETATM   41  C   UNL     1      -2.185  -0.604   6.823  1.00  0.00           C  
HETATM   42  C   UNL     1      -3.077  -1.092   7.935  1.00  0.00           C  
HETATM   43  C   UNL     1      -2.219  -0.270  -6.899  1.00  0.00           C  
HETATM   44  O   UNL     1      -0.885   0.036  -7.401  1.00  0.00           O  
HETATM   45  C   UNL     1      -0.742   1.366  -7.476  1.00  0.00           C  
HETATM   46  O   UNL     1       0.276   1.902  -7.863  1.00  0.00           O  
HETATM   47  O   UNL     1      -1.824   2.050  -7.087  1.00  0.00           O  
HETATM   48  C   UNL     1      -2.864   1.112  -6.684  1.00  0.00           C  
HETATM   49  H   UNL     1      -1.087  -2.842  -6.473  1.00  0.00           H  
HETATM   50  H   UNL     1       1.087  -2.781  -1.555  1.00  0.00           H  
HETATM   51  H   UNL     1       0.768  -1.100   0.545  1.00  0.00           H  
HETATM   52  H   UNL     1       0.210   1.657   0.492  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.841   1.845  -1.149  1.00  0.00           H  
HETATM   54  H   UNL     1       2.045   0.700   1.475  1.00  0.00           H  
HETATM   55  H   UNL     1       4.486   1.194   1.438  1.00  0.00           H  
HETATM   56  H   UNL     1       2.575   2.450  -0.256  1.00  0.00           H  
HETATM   57  H   UNL     1       3.020   4.288   1.197  1.00  0.00           H  
HETATM   58  H   UNL     1       2.578   2.776   2.026  1.00  0.00           H  
HETATM   59  H   UNL     1       4.283   3.282   1.947  1.00  0.00           H  
HETATM   60  H   UNL     1       4.253   0.658  -1.559  1.00  0.00           H  
HETATM   61  H   UNL     1       6.525   0.920  -1.408  1.00  0.00           H  
HETATM   62  H   UNL     1       5.598  -1.340  -1.134  1.00  0.00           H  
HETATM   63  H   UNL     1       6.054  -1.905   1.040  1.00  0.00           H  
HETATM   64  H   UNL     1       3.126  -1.529  -0.936  1.00  0.00           H  
HETATM   65  H   UNL     1       3.092  -3.624   0.345  1.00  0.00           H  
HETATM   66  H   UNL     1       4.603  -3.519  -0.589  1.00  0.00           H  
HETATM   67  H   UNL     1       4.611  -3.179   1.157  1.00  0.00           H  
HETATM   68  H   UNL     1      -4.494   0.199   1.422  1.00  0.00           H  
HETATM   69  H   UNL     1      -5.740   0.104   4.067  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.784  -0.591   6.174  1.00  0.00           H  
HETATM   71  H   UNL     1       0.145   0.645   3.986  1.00  0.00           H  
HETATM   72  H   UNL     1       2.644  -0.517   7.732  1.00  0.00           H  
HETATM   73  H   UNL     1       1.055   0.112   8.228  1.00  0.00           H  
HETATM   74  H   UNL     1       1.200  -1.552   7.613  1.00  0.00           H  
HETATM   75  H   UNL     1      -0.414  -0.864   7.946  1.00  0.00           H  
HETATM   76  H   UNL     1      -3.208  -2.171   7.849  1.00  0.00           H  
HETATM   77  H   UNL     1      -2.620  -0.858   8.897  1.00  0.00           H  
HETATM   78  H   UNL     1      -4.048  -0.602   7.865  1.00  0.00           H  
HETATM   79  H   UNL     1      -2.782  -0.845  -7.634  1.00  0.00           H  
HETATM   80  H   UNL     1      -3.746   1.224  -7.315  1.00  0.00           H  
HETATM   81  H   UNL     1      -3.122   1.254  -5.635  1.00  0.00           H  
CONECT    1    2   10   15   15                                       
CONECT    2    1    3    3    3                                       
CONECT    3    2    2    2    4                                       
CONECT    4    3    5    6   43                                       
CONECT    5    4    6                                                 
CONECT    6    4    5    7   49                                       
CONECT    7    6    8    8    8                                       
CONECT    8    7    7    7    9                                       
CONECT    9    8   10   10   50                                       
CONECT   10    1    9    9   11                                       
CONECT   11   10   12   13   51                                       
CONECT   12   11   16                                                 
CONECT   13   11   14   15   52                                       
CONECT   14   13   27                                                 
CONECT   15    1    1   13   53                                       
CONECT   16   12   17   18   54                                       
CONECT   17   16   25                                                 
CONECT   18   16   19   21   55                                       
CONECT   19   18   20   56                                            
CONECT   20   19   57   58   59                                       
CONECT   21   18   22   23   60                                       
CONECT   22   21   61                                                 
CONECT   23   21   24   25   62                                       
CONECT   24   23   63                                                 
CONECT   25   17   23   26   64                                       
CONECT   26   25   65   66   67                                       
CONECT   27   14   28   28   29                                       
CONECT   28   27   27                                                 
CONECT   29   27   30   30   35                                       
CONECT   30   29   29   31   32                                       
CONECT   31   30   68                                                 
CONECT   32   30   33   33   69                                       
CONECT   33   32   32   34   70                                       
CONECT   34   33   35   35   41                                       
CONECT   35   29   34   34   36                                       
CONECT   36   35   37   37   71                                       
CONECT   37   36   36   38   40                                       
CONECT   38   37   39                                                 
CONECT   39   38   72   73   74                                       
CONECT   40   37   41   41   75                                       
CONECT   41   34   40   40   42                                       
CONECT   42   41   76   77   78                                       
CONECT   43    4   44   48   79                                       
CONECT   44   43   45                                                 
CONECT   45   44   46   46   47                                       
CONECT   46   45   45                                                 
CONECT   47   45   48                                                 
CONECT   48   43   47   80   81                                       
CONECT   49    6                                                      
CONECT   50    9                                                      
CONECT   51   11                                                      
CONECT   52   13                                                      
CONECT   53   15                                                      
CONECT   54   16                                                      
CONECT   55   18                                                      
CONECT   56   19                                                      
CONECT   57   20                                                      
CONECT   58   20                                                      
CONECT   59   20                                                      
CONECT   60   21                                                      
CONECT   61   22                                                      
CONECT   62   23                                                      
CONECT   63   24                                                      
CONECT   64   25                                                      
CONECT   65   26                                                      
CONECT   66   26                                                      
CONECT   67   26                                                      
CONECT   68   31                                                      
CONECT   69   32                                                      
CONECT   70   33                                                      
CONECT   71   36                                                      
CONECT   72   39                                                      
CONECT   73   39                                                      
CONECT   74   39                                                      
CONECT   75   40                                                      
CONECT   76   42                                                      
CONECT   77   42                                                      
CONECT   78   42                                                      
CONECT   79   43                                                      
CONECT   80   48                                                      
CONECT   81   48                                                      
MASTER        0    0    0    0    0    0    0    0   81    0   81    0
END
