COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.687   1.623   0.793  1.00  0.00           C  
HETATM    2  C   UNL     1       2.267  -0.296   2.040  1.00  0.00           C  
HETATM    3  C   UNL     1       2.385  -2.207   3.451  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.218   1.560   1.035  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.811   3.330  -0.381  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.478   2.096  -0.930  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.986   1.723  -2.299  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.693   1.220  -0.236  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.320  -1.156  -0.368  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.154  -3.445  -0.324  1.00  0.00           C  
HETATM   11  C   UNL     1       8.335  -1.258  -1.076  1.00  0.00           C  
HETATM   12  C   UNL     1       8.030   0.082  -0.401  1.00  0.00           C  
HETATM   13  C   UNL     1       6.248   1.619   0.172  1.00  0.00           C  
HETATM   14  C   UNL     1       4.726   1.755   0.250  1.00  0.00           C  
HETATM   15  C   UNL     1       2.849   0.692   1.248  1.00  0.00           C  
HETATM   16  C   UNL     1       2.054   1.645   0.624  1.00  0.00           C  
HETATM   17  C   UNL     1       0.097   0.641   1.594  1.00  0.00           C  
HETATM   18  C   UNL     1       0.897  -0.321   2.218  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.366   0.620   1.782  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.552   2.806   1.593  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.348   3.684   0.879  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.980   2.180  -3.358  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.339  -0.114  -0.839  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.638  -4.084   0.967  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.133  -3.598   3.259  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.113  -2.808  -1.691  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.582  -2.652  -3.139  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.289  -1.016  -4.742  1.00  0.00           C  
HETATM   29  C   UNL     1       6.179   0.407  -1.924  1.00  0.00           C  
HETATM   30  C   UNL     1       6.502  -0.937  -2.584  1.00  0.00           C  
HETATM   31  N   UNL     1       6.592   0.366  -0.514  1.00  0.00           N  
HETATM   32  N   UNL     1      -3.199  -2.433  -0.782  1.00  0.00           N  
HETATM   33  O   UNL     1       7.897  -1.211  -2.437  1.00  0.00           O  
HETATM   34  O   UNL     1       4.196   0.715   1.073  1.00  0.00           O  
HETATM   35  O   UNL     1       3.048  -1.231   2.645  1.00  0.00           O  
HETATM   36  O   UNL     1      -3.603  -3.102   2.004  1.00  0.00           O  
HETATM   37  O   UNL     1      -2.842  -1.273  -3.409  1.00  0.00           O  
HETATM   38  O   UNL     1      -4.220  -0.845   0.384  1.00  0.00           O  
HETATM   39  O   UNL     1      -4.591   4.193  -1.080  1.00  0.00           O  
HETATM   40  O   UNL     1      -2.096   3.145   2.825  1.00  0.00           O  
HETATM   41  O   UNL     1      -1.869  -0.174   2.554  1.00  0.00           O  
HETATM   42  H   UNL     1       0.071   2.367   0.310  1.00  0.00           H  
HETATM   43  H   UNL     1       3.122  -2.890   3.873  1.00  0.00           H  
HETATM   44  H   UNL     1       1.848  -1.709   4.257  1.00  0.00           H  
HETATM   45  H   UNL     1       1.681  -2.768   2.836  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.110   0.642  -2.359  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.945   2.210  -2.476  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.265  -4.213  -1.090  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.119  -2.976  -0.137  1.00  0.00           H  
HETATM   50  H   UNL     1       9.408  -1.446  -1.045  1.00  0.00           H  
HETATM   51  H   UNL     1       7.810  -2.057  -0.553  1.00  0.00           H  
HETATM   52  H   UNL     1       8.309   0.031   0.651  1.00  0.00           H  
HETATM   53  H   UNL     1       8.597   0.874  -0.891  1.00  0.00           H  
HETATM   54  H   UNL     1       6.660   2.462  -0.382  1.00  0.00           H  
HETATM   55  H   UNL     1       6.664   1.608   1.179  1.00  0.00           H  
HETATM   56  H   UNL     1       4.470   2.724   0.678  1.00  0.00           H  
HETATM   57  H   UNL     1       4.302   1.678  -0.752  1.00  0.00           H  
HETATM   58  H   UNL     1       2.508   2.404   0.004  1.00  0.00           H  
HETATM   59  H   UNL     1       0.445  -1.086   2.831  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.609   4.643   1.301  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.020   1.694  -3.181  1.00  0.00           H  
HETATM   62  H   UNL     1      -3.347   1.911  -4.348  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.855   3.261  -3.298  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.378  -0.043  -1.926  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.332  -0.397  -0.530  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.302  -4.898   1.260  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.634  -4.476   0.803  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.136  -2.791   3.993  1.00  0.00           H  
HETATM   69  H   UNL     1      -3.787  -4.401   3.600  1.00  0.00           H  
HETATM   70  H   UNL     1      -2.119  -3.979   3.143  1.00  0.00           H  
HETATM   71  H   UNL     1      -1.830  -3.845  -1.510  1.00  0.00           H  
HETATM   72  H   UNL     1      -1.253  -2.161  -1.516  1.00  0.00           H  
HETATM   73  H   UNL     1      -1.807  -3.015  -3.813  1.00  0.00           H  
HETATM   74  H   UNL     1      -3.494  -3.230  -3.289  1.00  0.00           H  
HETATM   75  H   UNL     1      -3.464   0.052  -4.867  1.00  0.00           H  
HETATM   76  H   UNL     1      -2.528  -1.345  -5.450  1.00  0.00           H  
HETATM   77  H   UNL     1      -4.215  -1.560  -4.926  1.00  0.00           H  
HETATM   78  H   UNL     1       6.716   1.204  -2.439  1.00  0.00           H  
HETATM   79  H   UNL     1       5.106   0.593  -1.984  1.00  0.00           H  
HETATM   80  H   UNL     1       5.923  -1.727  -2.105  1.00  0.00           H  
HETATM   81  H   UNL     1       6.249  -0.893  -3.644  1.00  0.00           H  
HETATM   82  H   UNL     1      -5.539   4.085  -0.918  1.00  0.00           H  
HETATM   83  H   UNL     1      -1.240   3.596   2.817  1.00  0.00           H  
CONECT    1   16   16   17   42                                       
CONECT    2   15   15   18   35                                       
CONECT    3   35   43   44   45                                       
CONECT    4   19    8    8   20                                       
CONECT    5    6    6   21   39                                       
CONECT    6    8    7    5    5                                       
CONECT    7   22    6   46   47                                       
CONECT    8   23    4    4    6                                       
CONECT    9   23   32   38   38                                       
CONECT   10   32   24   48   49                                       
CONECT   11   12   33   50   51                                       
CONECT   12   31   11   52   53                                       
CONECT   13   14   31   54   55                                       
CONECT   14   13   34   56   57                                       
CONECT   15   16   34    2    2                                       
CONECT   16    1    1   15   58                                       
CONECT   17    1   19   18   18                                       
CONECT   18   17   17    2   59                                       
CONECT   19   41   41   17    4                                       
CONECT   20    4   40   21   21                                       
CONECT   21   20   20    5   60                                       
CONECT   22    7   61   62   63                                       
CONECT   23    8    9   64   65                                       
CONECT   24   10   36   66   67                                       
CONECT   25   36   68   69   70                                       
CONECT   26   27   32   71   72                                       
CONECT   27   37   26   73   74                                       
CONECT   28   37   75   76   77                                       
CONECT   29   31   30   78   79                                       
CONECT   30   29   33   80   81                                       
CONECT   31   13   29   12                                            
CONECT   32   26    9   10                                            
CONECT   33   30   11                                                 
CONECT   34   14   15                                                 
CONECT   35    2    3                                                 
CONECT   36   24   25                                                 
CONECT   37   28   27                                                 
CONECT   38    9    9                                                 
CONECT   39    5   82                                                 
CONECT   40   20   83                                                 
CONECT   41   19   19                                                 
CONECT   42    1                                                      
CONECT   43    3                                                      
CONECT   44    3                                                      
CONECT   45    3                                                      
CONECT   46    7                                                      
CONECT   47    7                                                      
CONECT   48   10                                                      
CONECT   49   10                                                      
CONECT   50   11                                                      
CONECT   51   11                                                      
CONECT   52   12                                                      
CONECT   53   12                                                      
CONECT   54   13                                                      
CONECT   55   13                                                      
CONECT   56   14                                                      
CONECT   57   14                                                      
CONECT   58   16                                                      
CONECT   59   18                                                      
CONECT   60   21                                                      
CONECT   61   22                                                      
CONECT   62   22                                                      
CONECT   63   22                                                      
CONECT   64   23                                                      
CONECT   65   23                                                      
CONECT   66   24                                                      
CONECT   67   24                                                      
CONECT   68   25                                                      
CONECT   69   25                                                      
CONECT   70   25                                                      
CONECT   71   26                                                      
CONECT   72   26                                                      
CONECT   73   27                                                      
CONECT   74   27                                                      
CONECT   75   28                                                      
CONECT   76   28                                                      
CONECT   77   28                                                      
CONECT   78   29                                                      
CONECT   79   29                                                      
CONECT   80   30                                                      
CONECT   81   30                                                      
CONECT   82   39                                                      
CONECT   83   40                                                      
MASTER        0    0    0    0    0    0    0    0   83    0   83    0
END
