COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.723   0.895  -1.591  1.00  0.00           C  
HETATM    2  C   UNL     1       0.879  -0.247  -0.570  1.00  0.00           C  
HETATM    3  C   UNL     1       1.638  -1.370  -1.252  1.00  0.00           C  
HETATM    4  C   UNL     1       3.139  -1.116  -1.355  1.00  0.00           C  
HETATM    5  O   UNL     1       3.415  -0.133  -2.345  1.00  0.00           O  
HETATM    6  C   UNL     1       3.753  -0.764  -0.011  1.00  0.00           C  
HETATM    7  C   UNL     1       3.502  -1.918   0.947  1.00  0.00           C  
HETATM    8  O   UNL     1       3.980  -3.140   0.664  1.00  0.00           O  
HETATM    9  O   UNL     1       2.873  -1.736   1.962  1.00  0.00           O  
HETATM   10  C   UNL     1       5.264  -0.606  -0.118  1.00  0.00           C  
HETATM   11  C   UNL     1       5.679   0.670  -0.829  1.00  0.00           C  
HETATM   12  C   UNL     1       5.032   1.906  -0.211  1.00  0.00           C  
HETATM   13  C   UNL     1       5.582   2.151   1.195  1.00  0.00           C  
HETATM   14  C   UNL     1       5.366   3.126  -1.087  1.00  0.00           C  
HETATM   15  C   UNL     1       3.513   1.744  -0.161  1.00  0.00           C  
HETATM   16  C   UNL     1       3.117   0.483   0.583  1.00  0.00           C  
HETATM   17  C   UNL     1       1.608   0.322   0.609  1.00  0.00           C  
HETATM   18  C   UNL     1       1.013   0.711   1.706  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.459   0.569   1.969  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.204   0.397   0.645  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.543  -0.697  -0.178  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.395  -1.976   0.662  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.342  -1.031  -1.436  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.808  -1.319  -1.074  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.376  -0.041  -0.461  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.706   0.220   0.882  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.983  -0.880   1.899  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.252   1.541   1.451  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.764   1.427   1.633  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.438   1.214   0.285  1.00  0.00           C  
HETATM   31  O   UNL     1      -6.848   1.036   0.485  1.00  0.00           O  
HETATM   32  C   UNL     1      -4.887   0.000  -0.460  1.00  0.00           C  
HETATM   33  C   UNL     1      -5.516  -1.279   0.090  1.00  0.00           C  
HETATM   34  C   UNL     1      -5.366   0.138  -1.926  1.00  0.00           C  
HETATM   35  O   UNL     1      -6.794   0.157  -1.961  1.00  0.00           O  
HETATM   36  H   UNL     1       0.192   0.528  -2.469  1.00  0.00           H  
HETATM   37  H   UNL     1       0.158   1.711  -1.140  1.00  0.00           H  
HETATM   38  H   UNL     1       1.709   1.256  -1.886  1.00  0.00           H  
HETATM   39  H   UNL     1       1.481  -2.339  -0.783  1.00  0.00           H  
HETATM   40  H   UNL     1       1.247  -1.468  -2.284  1.00  0.00           H  
HETATM   41  H   UNL     1       3.602  -2.059  -1.698  1.00  0.00           H  
HETATM   42  H   UNL     1       3.116  -0.373  -3.232  1.00  0.00           H  
HETATM   43  H   UNL     1       3.795  -3.843   1.303  1.00  0.00           H  
HETATM   44  H   UNL     1       5.694  -0.629   0.888  1.00  0.00           H  
HETATM   45  H   UNL     1       5.670  -1.469  -0.666  1.00  0.00           H  
HETATM   46  H   UNL     1       6.772   0.776  -0.754  1.00  0.00           H  
HETATM   47  H   UNL     1       5.439   0.616  -1.888  1.00  0.00           H  
HETATM   48  H   UNL     1       6.659   2.304   1.142  1.00  0.00           H  
HETATM   49  H   UNL     1       5.109   3.036   1.621  1.00  0.00           H  
HETATM   50  H   UNL     1       5.368   1.286   1.824  1.00  0.00           H  
HETATM   51  H   UNL     1       4.978   2.968  -2.093  1.00  0.00           H  
HETATM   52  H   UNL     1       4.909   4.018  -0.657  1.00  0.00           H  
HETATM   53  H   UNL     1       6.447   3.257  -1.130  1.00  0.00           H  
HETATM   54  H   UNL     1       3.088   2.619   0.350  1.00  0.00           H  
HETATM   55  H   UNL     1       3.138   1.737  -1.185  1.00  0.00           H  
HETATM   56  H   UNL     1       3.453   0.569   1.634  1.00  0.00           H  
HETATM   57  H   UNL     1       1.633   1.136   2.485  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.615  -0.268   2.641  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.807   1.478   2.468  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.103   1.358   0.098  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.382  -2.382   0.882  1.00  0.00           H  
HETATM   62  H   UNL     1       0.184  -2.712   0.104  1.00  0.00           H  
HETATM   63  H   UNL     1       0.117  -1.741   1.595  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.350  -0.214  -2.146  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.919  -1.914  -1.912  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.335  -1.563  -1.999  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.871  -2.159  -0.400  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.041   0.786  -1.133  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.790  -1.852   1.445  1.00  0.00           H  
HETATM   70  H   UNL     1      -2.332  -0.747   2.763  1.00  0.00           H  
HETATM   71  H   UNL     1      -4.024  -0.827   2.216  1.00  0.00           H  
HETATM   72  H   UNL     1      -2.781   1.729   2.415  1.00  0.00           H  
HETATM   73  H   UNL     1      -3.020   2.350   0.762  1.00  0.00           H  
HETATM   74  H   UNL     1      -5.017   0.626   2.319  1.00  0.00           H  
HETATM   75  H   UNL     1      -5.134   2.364   2.072  1.00  0.00           H  
HETATM   76  H   UNL     1      -5.290   2.106  -0.333  1.00  0.00           H  
HETATM   77  H   UNL     1      -7.283   1.789   0.909  1.00  0.00           H  
HETATM   78  H   UNL     1      -6.578  -1.296  -0.158  1.00  0.00           H  
HETATM   79  H   UNL     1      -5.026  -2.145  -0.354  1.00  0.00           H  
HETATM   80  H   UNL     1      -5.395  -1.307   1.173  1.00  0.00           H  
HETATM   81  H   UNL     1      -4.980   1.066  -2.349  1.00  0.00           H  
HETATM   82  H   UNL     1      -4.999  -0.706  -2.510  1.00  0.00           H  
HETATM   83  H   UNL     1      -7.165   0.241  -2.850  1.00  0.00           H  
CONECT    1    2   36   37   38                                       
CONECT    2    1   21    3   17                                       
CONECT    3    2    4   39   40                                       
CONECT    4    3    5    6   41                                       
CONECT    5    4   42                                                 
CONECT    6    4   16    7   10                                       
CONECT    7    6    9    9    8                                       
CONECT    8    7   43                                                 
CONECT    9    7    7                                                 
CONECT   10    6   11   44   45                                       
CONECT   11   12   10   46   47                                       
CONECT   12   15   14   11   13                                       
CONECT   13   12   48   49   50                                       
CONECT   14   12   51   52   53                                       
CONECT   15   16   12   54   55                                       
CONECT   16   17   15    6   56                                       
CONECT   17    2   18   18   16                                       
CONECT   18   19   17   17   57                                       
CONECT   19   20   18   58   59                                       
CONECT   20   26   21   19   60                                       
CONECT   21   23   20   22    2                                       
CONECT   22   21   61   62   63                                       
CONECT   23   24   21   64   65                                       
CONECT   24   25   23   66   67                                       
CONECT   25   32   24   26   68                                       
CONECT   26   25   28   27   20                                       
CONECT   27   26   69   70   71                                       
CONECT   28   29   26   72   73                                       
CONECT   29   30   28   74   75                                       
CONECT   30   31   32   29   76                                       
CONECT   31   30   77                                                 
CONECT   32   34   33   30   25                                       
CONECT   33   32   78   79   80                                       
CONECT   34   35   32   81   82                                       
CONECT   35   34   83                                                 
CONECT   36    1                                                      
CONECT   37    1                                                      
CONECT   38    1                                                      
CONECT   39    3                                                      
CONECT   40    3                                                      
CONECT   41    4                                                      
CONECT   42    5                                                      
CONECT   43    8                                                      
CONECT   44   10                                                      
CONECT   45   10                                                      
CONECT   46   11                                                      
CONECT   47   11                                                      
CONECT   48   13                                                      
CONECT   49   13                                                      
CONECT   50   13                                                      
CONECT   51   14                                                      
CONECT   52   14                                                      
CONECT   53   14                                                      
CONECT   54   15                                                      
CONECT   55   15                                                      
CONECT   56   16                                                      
CONECT   57   18                                                      
CONECT   58   19                                                      
CONECT   59   19                                                      
CONECT   60   20                                                      
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   27                                                      
CONECT   70   27                                                      
CONECT   71   27                                                      
CONECT   72   28                                                      
CONECT   73   28                                                      
CONECT   74   29                                                      
CONECT   75   29                                                      
CONECT   76   30                                                      
CONECT   77   31                                                      
CONECT   78   33                                                      
CONECT   79   33                                                      
CONECT   80   33                                                      
CONECT   81   34                                                      
CONECT   82   34                                                      
CONECT   83   35                                                      
MASTER        0    0    0    0    0    0    0    0   83    0   83    0
END
