COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      10.376  -1.158  -0.510  1.00  0.00           C  
HETATM    2  O   UNL     1       9.185  -1.479   0.213  1.00  0.00           O  
HETATM    3  C   UNL     1       8.152  -0.600   0.122  1.00  0.00           C  
HETATM    4  C   UNL     1       6.967  -0.850   0.799  1.00  0.00           C  
HETATM    5  C   UNL     1       5.918   0.043   0.708  1.00  0.00           C  
HETATM    6  C   UNL     1       8.285   0.550  -0.642  1.00  0.00           C  
HETATM    7  C   UNL     1       7.237   1.444  -0.733  1.00  0.00           C  
HETATM    8  C   UNL     1       6.049   1.191  -0.061  1.00  0.00           C  
HETATM    9  N   UNL     1       4.984   2.098  -0.154  1.00  0.00           N  
HETATM   10  C   UNL     1       3.714   1.647  -0.167  1.00  0.00           C  
HETATM   11  O   UNL     1       3.487   0.463  -0.003  1.00  0.00           O  
HETATM   12  N   UNL     1       2.695   2.507  -0.362  1.00  0.00           N  
HETATM   13  C   UNL     1       1.371   2.059  -0.267  1.00  0.00           C  
HETATM   14  C   UNL     1       0.398   2.892   0.256  1.00  0.00           C  
HETATM   15  C   UNL     1       1.040   0.780  -0.703  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.264   0.333  -0.614  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.245   1.155  -0.090  1.00  0.00           C  
HETATM   18  O   UNL     1      -2.528   0.714   0.019  1.00  0.00           O  
HETATM   19  C   UNL     1      -0.924   2.446   0.353  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.959   3.334   0.901  1.00  0.00           C  
HETATM   21  O   UNL     1      -1.831   3.771   2.028  1.00  0.00           O  
HETATM   22  N   UNL     1      -3.046   3.674   0.182  1.00  0.00           N  
HETATM   23  C   UNL     1      -4.111   4.483   0.782  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.831   4.668   2.275  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.159   5.851   0.099  1.00  0.00           C  
HETATM   26  O   UNL     1      -2.949   6.562   0.370  1.00  0.00           O  
HETATM   27  C   UNL     1      -3.148   3.223  -1.213  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.098   2.026  -1.288  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.101   2.101  -0.135  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.310   0.717  -1.177  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.279  -0.467  -1.153  1.00  0.00           C  
HETATM   32  N   UNL     1      -3.517  -1.720  -1.067  1.00  0.00           N  
HETATM   33  C   UNL     1      -2.727  -1.940  -2.286  1.00  0.00           C  
HETATM   34  C   UNL     1      -4.406  -2.859  -0.804  1.00  0.00           C  
HETATM   35  C   UNL     1      -3.580  -4.077  -0.481  1.00  0.00           C  
HETATM   36  C   UNL     1      -3.229  -4.345   0.830  1.00  0.00           C  
HETATM   37  C   UNL     1      -2.470  -5.464   1.130  1.00  0.00           C  
HETATM   38  O   UNL     1      -1.998  -5.946   2.316  1.00  0.00           O  
HETATM   39  C   UNL     1      -0.956  -6.876   1.966  1.00  0.00           C  
HETATM   40  O   UNL     1      -1.333  -7.335   0.654  1.00  0.00           O  
HETATM   41  C   UNL     1      -2.061  -6.318   0.108  1.00  0.00           C  
HETATM   42  C   UNL     1      -2.416  -6.044  -1.203  1.00  0.00           C  
HETATM   43  C   UNL     1      -3.179  -4.928  -1.494  1.00  0.00           C  
HETATM   44  H   UNL     1      10.770  -0.206  -0.156  1.00  0.00           H  
HETATM   45  H   UNL     1      11.118  -1.940  -0.352  1.00  0.00           H  
HETATM   46  H   UNL     1      10.146  -1.084  -1.573  1.00  0.00           H  
HETATM   47  H   UNL     1       6.865  -1.744   1.396  1.00  0.00           H  
HETATM   48  H   UNL     1       4.995  -0.153   1.234  1.00  0.00           H  
HETATM   49  H   UNL     1       9.210   0.747  -1.165  1.00  0.00           H  
HETATM   50  H   UNL     1       7.341   2.340  -1.328  1.00  0.00           H  
HETATM   51  H   UNL     1       5.161   3.050  -0.209  1.00  0.00           H  
HETATM   52  H   UNL     1       2.879   3.437  -0.569  1.00  0.00           H  
HETATM   53  H   UNL     1       0.659   3.885   0.589  1.00  0.00           H  
HETATM   54  H   UNL     1       1.804   0.136  -1.112  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.518  -0.659  -0.960  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.068   3.978   0.652  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.696   3.693   2.743  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.926   5.262   2.404  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.672   5.181   2.741  1.00  0.00           H  
HETATM   60  H   UNL     1      -4.267   5.716  -0.978  1.00  0.00           H  
HETATM   61  H   UNL     1      -5.007   6.418   0.481  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.910   7.440  -0.033  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.535   4.034  -1.830  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.162   2.929  -1.573  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.634   2.049  -2.236  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.775   2.943  -0.294  1.00  0.00           H  
HETATM   67  H   UNL     1      -5.678   1.177  -0.095  1.00  0.00           H  
HETATM   68  H   UNL     1      -4.566   2.237   0.804  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.651   0.625  -2.040  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.936  -0.381  -0.287  1.00  0.00           H  
HETATM   71  H   UNL     1      -4.876  -0.466  -2.064  1.00  0.00           H  
HETATM   72  H   UNL     1      -2.027  -1.115  -2.419  1.00  0.00           H  
HETATM   73  H   UNL     1      -2.173  -2.874  -2.196  1.00  0.00           H  
HETATM   74  H   UNL     1      -3.393  -1.994  -3.147  1.00  0.00           H  
HETATM   75  H   UNL     1      -5.056  -2.626   0.040  1.00  0.00           H  
HETATM   76  H   UNL     1      -5.015  -3.057  -1.687  1.00  0.00           H  
HETATM   77  H   UNL     1      -3.547  -3.681   1.620  1.00  0.00           H  
HETATM   78  H   UNL     1       0.011  -6.373   1.932  1.00  0.00           H  
HETATM   79  H   UNL     1      -0.930  -7.706   2.672  1.00  0.00           H  
HETATM   80  H   UNL     1      -2.100  -6.704  -1.997  1.00  0.00           H  
HETATM   81  H   UNL     1      -3.455  -4.715  -2.516  1.00  0.00           H  
CONECT    1    2   44   45   46                                       
CONECT    2    3    1                                                 
CONECT    3    6    6    4    2                                       
CONECT    4    5    5    3   47                                       
CONECT    5    8    4    4   48                                       
CONECT    6    7    3    3   49                                       
CONECT    7    8    8    6   50                                       
CONECT    8    9    7    7    5                                       
CONECT    9   10    8   51                                            
CONECT   10   12   11   11    9                                       
CONECT   11   10   10                                                 
CONECT   12   13   10   52                                            
CONECT   13   15   15   14   12                                       
CONECT   14   19   19   13   53                                       
CONECT   15   16   13   13   54                                       
CONECT   16   17   17   15   55                                       
CONECT   17   18   16   16   19                                       
CONECT   18   30   17                                                 
CONECT   19   17   20   14   14                                       
CONECT   20   19   22   21   21                                       
CONECT   21   20   20                                                 
CONECT   22   27   20   23                                            
CONECT   23   24   22   25   56                                       
CONECT   24   23   57   58   59                                       
CONECT   25   23   26   60   61                                       
CONECT   26   25   62                                                 
CONECT   27   28   22   63   64                                       
CONECT   28   29   30   27   65                                       
CONECT   29   28   66   67   68                                       
CONECT   30   31   18   28   69                                       
CONECT   31   32   30   70   71                                       
CONECT   32   34   31   33                                            
CONECT   33   32   72   73   74                                       
CONECT   34   35   32   75   76                                       
CONECT   35   43   43   36   34                                       
CONECT   36   37   37   35   77                                       
CONECT   37   41   38   36   36                                       
CONECT   38   39   37                                                 
CONECT   39   40   38   78   79                                       
CONECT   40   41   39                                                 
CONECT   41   42   42   40   37                                       
CONECT   42   41   41   43   80                                       
CONECT   43   42   35   35   81                                       
CONECT   44    1                                                      
CONECT   45    1                                                      
CONECT   46    1                                                      
CONECT   47    4                                                      
CONECT   48    5                                                      
CONECT   49    6                                                      
CONECT   50    7                                                      
CONECT   51    9                                                      
CONECT   52   12                                                      
CONECT   53   14                                                      
CONECT   54   15                                                      
CONECT   55   16                                                      
CONECT   56   23                                                      
CONECT   57   24                                                      
CONECT   58   24                                                      
CONECT   59   24                                                      
CONECT   60   25                                                      
CONECT   61   25                                                      
CONECT   62   26                                                      
CONECT   63   27                                                      
CONECT   64   27                                                      
CONECT   65   28                                                      
CONECT   66   29                                                      
CONECT   67   29                                                      
CONECT   68   29                                                      
CONECT   69   30                                                      
CONECT   70   31                                                      
CONECT   71   31                                                      
CONECT   72   33                                                      
CONECT   73   33                                                      
CONECT   74   33                                                      
CONECT   75   34                                                      
CONECT   76   34                                                      
CONECT   77   36                                                      
CONECT   78   39                                                      
CONECT   79   39                                                      
CONECT   80   42                                                      
CONECT   81   43                                                      
MASTER        0    0    0    0    0    0    0    0   81    0   81    0
END
