COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.576  -4.433   0.732  1.00  0.00           C  
HETATM    2  C   UNL     1       6.388   0.324  -0.692  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.454  -3.524   0.890  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.182  -2.047   0.761  1.00  0.00           C  
HETATM    5  C   UNL     1       3.155   1.482   0.316  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.228  -1.648  -0.715  1.00  0.00           C  
HETATM    7  C   UNL     1       0.890  -2.364  -1.475  1.00  0.00           C  
HETATM    8  C   UNL     1       2.234  -2.059  -0.811  1.00  0.00           C  
HETATM    9  C   UNL     1       2.466  -0.570  -0.806  1.00  0.00           C  
HETATM   10  C   UNL     1       1.949   2.200  -0.232  1.00  0.00           C  
HETATM   11  C   UNL     1       4.373   1.795  -0.555  1.00  0.00           C  
HETATM   12  N   UNL     1       2.912   0.038   0.311  1.00  0.00           N  
HETATM   13  N   UNL     1       1.656   3.447   0.245  1.00  0.00           N  
HETATM   14  C   UNL     1       0.326  -5.787   0.845  1.00  0.00           C  
HETATM   15  O   UNL     1       1.252   1.682  -1.078  1.00  0.00           O  
HETATM   16  C   UNL     1       5.603   1.178   0.060  1.00  0.00           C  
HETATM   17  C   UNL     1       7.517  -0.238  -0.117  1.00  0.00           C  
HETATM   18  C   UNL     1       7.819   0.085   1.197  1.00  0.00           C  
HETATM   19  C   UNL     1       6.990   0.951   1.885  1.00  0.00           C  
HETATM   20  N   UNL     1       5.918   1.459   1.309  1.00  0.00           N  
HETATM   21  O   UNL     1       2.253   0.081  -1.807  1.00  0.00           O  
HETATM   22  O   UNL     1       0.913  -1.909  -2.829  1.00  0.00           O  
HETATM   23  C   UNL     1       0.463   4.090  -0.351  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.540   4.389   0.765  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.443   5.549   0.341  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.859   5.314   0.873  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.822   5.135  -0.302  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.076   4.398   0.174  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.808   2.892   0.189  1.00  0.00           C  
HETATM   30  C   UNL     1      -6.139   2.137   0.185  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.959   0.783   0.874  1.00  0.00           C  
HETATM   32  C   UNL     1      -5.636  -0.284  -0.174  1.00  0.00           C  
HETATM   33  C   UNL     1      -5.919  -1.671   0.406  1.00  0.00           C  
HETATM   34  C   UNL     1      -4.827  -2.644  -0.042  1.00  0.00           C  
HETATM   35  C   UNL     1      -3.999  -2.005  -1.158  1.00  0.00           C  
HETATM   36  C   UNL     1      -2.640  -1.632  -0.624  1.00  0.00           C  
HETATM   37  O   UNL     1      -2.538  -0.975   0.391  1.00  0.00           O  
HETATM   38  N   UNL     1      -1.528  -2.041  -1.294  1.00  0.00           N  
HETATM   39  C   UNL     1      -1.733  -3.970   1.166  1.00  0.00           C  
HETATM   40  C   UNL     1      -0.953  -6.233   1.121  1.00  0.00           C  
HETATM   41  C   UNL     1      -1.982  -5.324   1.285  1.00  0.00           C  
HETATM   42  H   UNL     1       1.575  -4.084   0.516  1.00  0.00           H  
HETATM   43  H   UNL     1       6.122   0.094  -1.714  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.939  -1.489   1.312  1.00  0.00           H  
HETATM   45  H   UNL     1       0.804  -1.822   1.168  1.00  0.00           H  
HETATM   46  H   UNL     1       3.344   1.814   1.336  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.100  -0.569  -0.805  1.00  0.00           H  
HETATM   48  H   UNL     1       0.711  -3.439  -1.456  1.00  0.00           H  
HETATM   49  H   UNL     1       2.226  -2.429   0.214  1.00  0.00           H  
HETATM   50  H   UNL     1       3.033  -2.549  -1.367  1.00  0.00           H  
HETATM   51  H   UNL     1       4.222   1.385  -1.554  1.00  0.00           H  
HETATM   52  H   UNL     1       4.504   2.875  -0.622  1.00  0.00           H  
HETATM   53  H   UNL     1       3.071  -0.482   1.114  1.00  0.00           H  
HETATM   54  H   UNL     1       2.193   3.881   0.927  1.00  0.00           H  
HETATM   55  H   UNL     1       1.129  -6.498   0.717  1.00  0.00           H  
HETATM   56  H   UNL     1       8.146  -0.913  -0.679  1.00  0.00           H  
HETATM   57  H   UNL     1       8.690  -0.335   1.677  1.00  0.00           H  
HETATM   58  H   UNL     1       7.219   1.209   2.908  1.00  0.00           H  
HETATM   59  H   UNL     1       1.599  -2.322  -3.372  1.00  0.00           H  
HETATM   60  H   UNL     1       0.754   5.019  -0.841  1.00  0.00           H  
HETATM   61  H   UNL     1       0.012   3.418  -1.081  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.149   3.505   0.953  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.002   4.661   1.673  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.053   6.482   0.748  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.470   5.611  -0.747  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.870   4.417   1.492  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.170   6.171   1.470  1.00  0.00           H  
HETATM   68  H   UNL     1      -4.101   6.112  -0.695  1.00  0.00           H  
HETATM   69  H   UNL     1      -3.335   4.554  -1.086  1.00  0.00           H  
HETATM   70  H   UNL     1      -5.333   4.732   1.179  1.00  0.00           H  
HETATM   71  H   UNL     1      -5.902   4.614  -0.504  1.00  0.00           H  
HETATM   72  H   UNL     1      -4.232   2.617  -0.694  1.00  0.00           H  
HETATM   73  H   UNL     1      -4.245   2.632   1.086  1.00  0.00           H  
HETATM   74  H   UNL     1      -6.889   2.720   0.720  1.00  0.00           H  
HETATM   75  H   UNL     1      -6.465   1.982  -0.843  1.00  0.00           H  
HETATM   76  H   UNL     1      -5.141   0.846   1.592  1.00  0.00           H  
HETATM   77  H   UNL     1      -6.878   0.515   1.394  1.00  0.00           H  
HETATM   78  H   UNL     1      -6.257  -0.126  -1.056  1.00  0.00           H  
HETATM   79  H   UNL     1      -4.585  -0.213  -0.452  1.00  0.00           H  
HETATM   80  H   UNL     1      -5.930  -1.613   1.495  1.00  0.00           H  
HETATM   81  H   UNL     1      -6.887  -2.023   0.051  1.00  0.00           H  
HETATM   82  H   UNL     1      -4.179  -2.878   0.803  1.00  0.00           H  
HETATM   83  H   UNL     1      -5.287  -3.561  -0.410  1.00  0.00           H  
HETATM   84  H   UNL     1      -3.885  -2.715  -1.978  1.00  0.00           H  
HETATM   85  H   UNL     1      -4.505  -1.110  -1.520  1.00  0.00           H  
HETATM   86  H   UNL     1      -1.587  -2.564  -2.109  1.00  0.00           H  
HETATM   87  H   UNL     1      -2.537  -3.260   1.289  1.00  0.00           H  
HETATM   88  H   UNL     1      -1.149  -7.292   1.209  1.00  0.00           H  
HETATM   89  H   UNL     1      -2.981  -5.673   1.501  1.00  0.00           H  
CONECT    1   14   14    3   42                                       
CONECT    2   16   17   17   43                                       
CONECT    3   39   39    1    4                                       
CONECT    4    3    6   44   45                                       
CONECT    5   12   10   11   46                                       
CONECT    6   38    4    7   47                                       
CONECT    7    6   22    8   48                                       
CONECT    8    7    9   49   50                                       
CONECT    9    8   21   21   12                                       
CONECT   10    5   13   15   15                                       
CONECT   11    5   16   51   52                                       
CONECT   12    9    5   53                                            
CONECT   13   10   23   54                                            
CONECT   14   40    1    1   55                                       
CONECT   15   10   10                                                 
CONECT   16   11   20   20    2                                       
CONECT   17    2    2   18   56                                       
CONECT   18   19   19   17   57                                       
CONECT   19   20   18   18   58                                       
CONECT   20   16   16   19                                            
CONECT   21    9    9                                                 
CONECT   22    7   59                                                 
CONECT   23   13   24   60   61                                       
CONECT   24   25   23   62   63                                       
CONECT   25   26   24   64   65                                       
CONECT   26   27   25   66   67                                       
CONECT   27   28   26   68   69                                       
CONECT   28   29   27   70   71                                       
CONECT   29   30   28   72   73                                       
CONECT   30   31   29   74   75                                       
CONECT   31   32   30   76   77                                       
CONECT   32   33   31   78   79                                       
CONECT   33   34   32   80   81                                       
CONECT   34   35   33   82   83                                       
CONECT   35   34   36   84   85                                       
CONECT   36   35   38   37   37                                       
CONECT   37   36   36                                                 
CONECT   38   36    6   86                                            
CONECT   39   41    3    3   87                                       
CONECT   40   41   41   14   88                                       
CONECT   41   40   40   39   89                                       
CONECT   42    1                                                      
CONECT   43    2                                                      
CONECT   44    4                                                      
CONECT   45    4                                                      
CONECT   46    5                                                      
CONECT   47    6                                                      
CONECT   48    7                                                      
CONECT   49    8                                                      
CONECT   50    8                                                      
CONECT   51   11                                                      
CONECT   52   11                                                      
CONECT   53   12                                                      
CONECT   54   13                                                      
CONECT   55   14                                                      
CONECT   56   17                                                      
CONECT   57   18                                                      
CONECT   58   19                                                      
CONECT   59   22                                                      
CONECT   60   23                                                      
CONECT   61   23                                                      
CONECT   62   24                                                      
CONECT   63   24                                                      
CONECT   64   25                                                      
CONECT   65   25                                                      
CONECT   66   26                                                      
CONECT   67   26                                                      
CONECT   68   27                                                      
CONECT   69   27                                                      
CONECT   70   28                                                      
CONECT   71   28                                                      
CONECT   72   29                                                      
CONECT   73   29                                                      
CONECT   74   30                                                      
CONECT   75   30                                                      
CONECT   76   31                                                      
CONECT   77   31                                                      
CONECT   78   32                                                      
CONECT   79   32                                                      
CONECT   80   33                                                      
CONECT   81   33                                                      
CONECT   82   34                                                      
CONECT   83   34                                                      
CONECT   84   35                                                      
CONECT   85   35                                                      
CONECT   86   38                                                      
CONECT   87   39                                                      
CONECT   88   40                                                      
CONECT   89   41                                                      
MASTER        0    0    0    0    0    0    0    0   89    0   89    0
END
