COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.493  -0.878   1.701  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.228  -1.673   1.372  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.002  -0.773   1.540  1.00  0.00           C  
HETATM    4  C   UNL     1       1.263  -1.569   1.211  1.00  0.00           C  
HETATM    5  C   UNL     1       2.496  -0.709   1.498  1.00  0.00           C  
HETATM    6  C   UNL     1       3.760  -1.504   1.170  1.00  0.00           C  
HETATM    7  C   UNL     1      12.197   0.976  -3.076  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.577   9.134  -1.242  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.392   8.020  -0.209  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.568   6.887  -0.823  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.383   5.773   0.210  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.559   4.640  -0.404  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.374   3.526   0.629  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.550   2.393   0.015  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.368   1.296   1.032  1.00  0.00           C  
HETATM   16  O   UNL     1      -3.850   1.410   2.139  1.00  0.00           O  
HETATM   17  N   UNL     1      -2.670   0.189   0.712  1.00  0.00           N  
HETATM   18  C   UNL     1      -3.705  -1.811   1.667  1.00  0.00           C  
HETATM   19  O   UNL     1      -3.768  -2.464   0.398  1.00  0.00           O  
HETATM   20  C   UNL     1      -4.871  -3.363   0.261  1.00  0.00           C  
HETATM   21  O   UNL     1      -6.088  -2.618   0.193  1.00  0.00           O  
HETATM   22  C   UNL     1      -6.141  -1.685  -0.888  1.00  0.00           C  
HETATM   23  C   UNL     1      -7.471  -0.928  -0.844  1.00  0.00           C  
HETATM   24  O   UNL     1      -7.528  -0.135   0.343  1.00  0.00           O  
HETATM   25  C   UNL     1      -6.026  -2.438  -2.216  1.00  0.00           C  
HETATM   26  O   UNL     1      -7.135  -3.328  -2.358  1.00  0.00           O  
HETATM   27  C   UNL     1      -4.722  -3.240  -2.227  1.00  0.00           C  
HETATM   28  O   UNL     1      -4.641  -4.004  -3.432  1.00  0.00           O  
HETATM   29  C   UNL     1      -4.704  -4.183  -1.021  1.00  0.00           C  
HETATM   30  O   UNL     1      -3.460  -4.885  -0.981  1.00  0.00           O  
HETATM   31  O   UNL     1      -1.124  -2.789   2.258  1.00  0.00           O  
HETATM   32  O   UNL     1      -0.106   0.343   0.654  1.00  0.00           O  
HETATM   33  C   UNL     1       4.974  -0.657   1.452  1.00  0.00           C  
HETATM   34  O   UNL     1       4.841   0.473   1.875  1.00  0.00           O  
HETATM   35  N   UNL     1       6.209  -1.154   1.235  1.00  0.00           N  
HETATM   36  C   UNL     1       7.255  -0.424   1.479  1.00  0.00           C  
HETATM   37  C   UNL     1       8.635  -0.979   1.236  1.00  0.00           C  
HETATM   38  C   UNL     1       9.405  -0.043   0.302  1.00  0.00           C  
HETATM   39  C   UNL     1      10.805  -0.607   0.056  1.00  0.00           C  
HETATM   40  C   UNL     1      11.564   0.315  -0.863  1.00  0.00           C  
HETATM   41  C   UNL     1      12.322   1.344  -0.338  1.00  0.00           C  
HETATM   42  C   UNL     1      13.018   2.190  -1.182  1.00  0.00           C  
HETATM   43  C   UNL     1      12.955   2.006  -2.550  1.00  0.00           C  
HETATM   44  C   UNL     1      11.501   0.131  -2.232  1.00  0.00           C  
HETATM   45  H   UNL     1      -2.399  -0.440   2.694  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.280  -2.029   0.343  1.00  0.00           H  
HETATM   47  H   UNL     1       0.050  -0.417   2.569  1.00  0.00           H  
HETATM   48  H   UNL     1       1.297  -2.468   1.827  1.00  0.00           H  
HETATM   49  H   UNL     1       1.253  -1.849   0.158  1.00  0.00           H  
HETATM   50  H   UNL     1       2.462   0.191   0.883  1.00  0.00           H  
HETATM   51  H   UNL     1       2.506  -0.428   2.551  1.00  0.00           H  
HETATM   52  H   UNL     1       3.794  -2.403   1.785  1.00  0.00           H  
HETATM   53  H   UNL     1       3.750  -1.784   0.116  1.00  0.00           H  
HETATM   54  H   UNL     1      12.144   0.836  -4.145  1.00  0.00           H  
HETATM   55  H   UNL     1      -7.164   9.941  -0.805  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.601   9.516  -1.543  1.00  0.00           H  
HETATM   57  H   UNL     1      -7.097   8.738  -2.115  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.872   8.416   0.663  1.00  0.00           H  
HETATM   59  H   UNL     1      -7.368   7.638   0.091  1.00  0.00           H  
HETATM   60  H   UNL     1      -6.088   6.491  -1.696  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.592   7.269  -1.124  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.864   6.169   1.082  1.00  0.00           H  
HETATM   63  H   UNL     1      -6.359   5.391   0.511  1.00  0.00           H  
HETATM   64  H   UNL     1      -5.079   4.244  -1.276  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.583   5.022  -0.705  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.855   3.922   1.501  1.00  0.00           H  
HETATM   67  H   UNL     1      -5.350   3.144   0.929  1.00  0.00           H  
HETATM   68  H   UNL     1      -4.070   1.997  -0.858  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.575   2.775  -0.286  1.00  0.00           H  
HETATM   70  H   UNL     1      -2.284   0.098  -0.174  1.00  0.00           H  
HETATM   71  H   UNL     1      -3.611  -2.557   2.456  1.00  0.00           H  
HETATM   72  H   UNL     1      -4.615  -1.230   1.823  1.00  0.00           H  
HETATM   73  H   UNL     1      -4.902  -4.033   1.120  1.00  0.00           H  
HETATM   74  H   UNL     1      -5.318  -0.977  -0.798  1.00  0.00           H  
HETATM   75  H   UNL     1      -7.550  -0.281  -1.717  1.00  0.00           H  
HETATM   76  H   UNL     1      -8.295  -1.642  -0.844  1.00  0.00           H  
HETATM   77  H   UNL     1      -8.345   0.373   0.438  1.00  0.00           H  
HETATM   78  H   UNL     1      -6.024  -1.724  -3.040  1.00  0.00           H  
HETATM   79  H   UNL     1      -7.127  -3.838  -3.179  1.00  0.00           H  
HETATM   80  H   UNL     1      -3.874  -2.558  -2.169  1.00  0.00           H  
HETATM   81  H   UNL     1      -3.841  -4.542  -3.504  1.00  0.00           H  
HETATM   82  H   UNL     1      -5.524  -4.897  -1.105  1.00  0.00           H  
HETATM   83  H   UNL     1      -3.380  -5.502  -0.240  1.00  0.00           H  
HETATM   84  H   UNL     1      -1.150  -2.552   3.195  1.00  0.00           H  
HETATM   85  H   UNL     1      -0.156   0.100  -0.281  1.00  0.00           H  
HETATM   86  H   UNL     1       7.136   0.582   1.855  1.00  0.00           H  
HETATM   87  H   UNL     1       9.165  -1.063   2.185  1.00  0.00           H  
HETATM   88  H   UNL     1       8.554  -1.965   0.777  1.00  0.00           H  
HETATM   89  H   UNL     1       8.875   0.040  -0.646  1.00  0.00           H  
HETATM   90  H   UNL     1       9.485   0.942   0.761  1.00  0.00           H  
HETATM   91  H   UNL     1      11.335  -0.691   1.005  1.00  0.00           H  
HETATM   92  H   UNL     1      10.725  -1.593  -0.403  1.00  0.00           H  
HETATM   93  H   UNL     1      12.371   1.488   0.731  1.00  0.00           H  
HETATM   94  H   UNL     1      13.611   2.994  -0.772  1.00  0.00           H  
HETATM   95  H   UNL     1      13.499   2.667  -3.210  1.00  0.00           H  
HETATM   96  H   UNL     1      10.908  -0.673  -2.642  1.00  0.00           H  
CONECT    1    2   17   18   45                                       
CONECT    2    3   31    1   46                                       
CONECT    3   32    4    2   47                                       
CONECT    4    5    3   48   49                                       
CONECT    5    6    4   50   51                                       
CONECT    6   33    5   52   53                                       
CONECT    7   43   43   44   54                                       
CONECT    8    9   55   56   57                                       
CONECT    9   10    8   58   59                                       
CONECT   10    9   11   60   61                                       
CONECT   11   10   12   62   63                                       
CONECT   12   11   13   64   65                                       
CONECT   13   12   14   66   67                                       
CONECT   14   15   13   68   69                                       
CONECT   15   17   14   16   16                                       
CONECT   16   15   15                                                 
CONECT   17    1   15   70                                            
CONECT   18    1   19   71   72                                       
CONECT   19   20   18                                                 
CONECT   20   29   19   21   73                                       
CONECT   21   20   22                                                 
CONECT   22   25   21   23   74                                       
CONECT   23   22   24   75   76                                       
CONECT   24   23   77                                                 
CONECT   25   27   26   22   78                                       
CONECT   26   25   79                                                 
CONECT   27   28   29   25   80                                       
CONECT   28   27   81                                                 
CONECT   29   30   27   20   82                                       
CONECT   30   29   83                                                 
CONECT   31    2   84                                                 
CONECT   32    3   85                                                 
CONECT   33   35   34   34    6                                       
CONECT   34   33   33                                                 
CONECT   35   36   36   33                                            
CONECT   36   37   35   35   86                                       
CONECT   37   38   36   87   88                                       
CONECT   38   39   37   89   90                                       
CONECT   39   40   38   91   92                                       
CONECT   40   44   44   41   39                                       
CONECT   41   42   42   40   93                                       
CONECT   42   43   41   41   94                                       
CONECT   43    7    7   42   95                                       
CONECT   44    7   40   40   96                                       
CONECT   45    1                                                      
CONECT   46    2                                                      
CONECT   47    3                                                      
CONECT   48    4                                                      
CONECT   49    4                                                      
CONECT   50    5                                                      
CONECT   51    5                                                      
CONECT   52    6                                                      
CONECT   53    6                                                      
CONECT   54    7                                                      
CONECT   55    8                                                      
CONECT   56    8                                                      
CONECT   57    8                                                      
CONECT   58    9                                                      
CONECT   59    9                                                      
CONECT   60   10                                                      
CONECT   61   10                                                      
CONECT   62   11                                                      
CONECT   63   11                                                      
CONECT   64   12                                                      
CONECT   65   12                                                      
CONECT   66   13                                                      
CONECT   67   13                                                      
CONECT   68   14                                                      
CONECT   69   14                                                      
CONECT   70   17                                                      
CONECT   71   18                                                      
CONECT   72   18                                                      
CONECT   73   20                                                      
CONECT   74   22                                                      
CONECT   75   23                                                      
CONECT   76   23                                                      
CONECT   77   24                                                      
CONECT   78   25                                                      
CONECT   79   26                                                      
CONECT   80   27                                                      
CONECT   81   28                                                      
CONECT   82   29                                                      
CONECT   83   30                                                      
CONECT   84   31                                                      
CONECT   85   32                                                      
CONECT   86   36                                                      
CONECT   87   37                                                      
CONECT   88   37                                                      
CONECT   89   38                                                      
CONECT   90   38                                                      
CONECT   91   39                                                      
CONECT   92   39                                                      
CONECT   93   41                                                      
CONECT   94   42                                                      
CONECT   95   43                                                      
CONECT   96   44                                                      
MASTER        0    0    0    0    0    0    0    0   96    0   96    0
END
