COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.549  -2.291  -2.566  1.00  0.00           C  
HETATM    2  O   UNL     1      -7.514  -1.778  -1.646  1.00  0.00           O  
HETATM    3  C   UNL     1      -7.040  -1.094  -0.571  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.675  -0.916  -0.408  1.00  0.00           C  
HETATM    5  C   UNL     1      -7.924  -0.566   0.366  1.00  0.00           C  
HETATM    6  O   UNL     1      -9.264  -0.733   0.208  1.00  0.00           O  
HETATM    7  C   UNL     1     -10.111  -0.164   1.208  1.00  0.00           C  
HETATM    8  C   UNL     1      -7.435   0.130   1.459  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.072   0.299   1.619  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.195  -0.220   0.686  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.710  -0.027   0.861  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.279   1.268   0.170  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.772   1.463   0.348  1.00  0.00           C  
HETATM   14  O   UNL     1      -1.068   0.400  -0.346  1.00  0.00           O  
HETATM   15  C   UNL     1      -0.766  -0.691   0.375  1.00  0.00           C  
HETATM   16  O   UNL     1      -0.951  -0.682   1.569  1.00  0.00           O  
HETATM   17  C   UNL     1      -0.202  -1.921  -0.273  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.095  -3.126   0.065  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.458  -4.400  -0.481  1.00  0.00           C  
HETATM   20  C   UNL     1       0.955  -4.611   0.038  1.00  0.00           C  
HETATM   21  C   UNL     1       1.441  -3.455   0.900  1.00  0.00           C  
HETATM   22  N   UNL     1       1.153  -2.182   0.231  1.00  0.00           N  
HETATM   23  C   UNL     1       2.120  -1.260   0.080  1.00  0.00           C  
HETATM   24  O   UNL     1       1.856  -0.188  -0.422  1.00  0.00           O  
HETATM   25  C   UNL     1       3.530  -1.547   0.531  1.00  0.00           C  
HETATM   26  C   UNL     1       3.965  -2.923   0.021  1.00  0.00           C  
HETATM   27  C   UNL     1       4.749  -3.648   1.117  1.00  0.00           C  
HETATM   28  C   UNL     1       5.184  -5.024   0.608  1.00  0.00           C  
HETATM   29  C   UNL     1       6.071  -4.853  -0.627  1.00  0.00           C  
HETATM   30  C   UNL     1       5.287  -4.128  -1.723  1.00  0.00           C  
HETATM   31  C   UNL     1       4.852  -2.753  -1.213  1.00  0.00           C  
HETATM   32  N   UNL     1       4.416  -0.504  -0.030  1.00  0.00           N  
HETATM   33  C   UNL     1       4.416   0.689   0.626  1.00  0.00           C  
HETATM   34  O   UNL     1       3.777   0.822   1.648  1.00  0.00           O  
HETATM   35  C   UNL     1       5.214   1.842   0.074  1.00  0.00           C  
HETATM   36  C   UNL     1       6.621   1.832   0.675  1.00  0.00           C  
HETATM   37  C   UNL     1       5.300   1.730  -1.449  1.00  0.00           C  
HETATM   38  N   UNL     1       4.519   3.099   0.447  1.00  0.00           N  
HETATM   39  C   UNL     1       5.147   4.137   1.266  1.00  0.00           C  
HETATM   40  C   UNL     1       3.244   3.211  -0.037  1.00  0.00           C  
HETATM   41  O   UNL     1       2.770   2.337  -0.731  1.00  0.00           O  
HETATM   42  C   UNL     1       2.440   4.435   0.307  1.00  0.00           C  
HETATM   43  O   UNL     1       1.617   4.791  -0.801  1.00  0.00           O  
HETATM   44  C   UNL     1       0.305   4.425  -0.743  1.00  0.00           C  
HETATM   45  C   UNL     1      -0.047   3.173  -0.256  1.00  0.00           C  
HETATM   46  C   UNL     1      -1.381   2.811  -0.195  1.00  0.00           C  
HETATM   47  C   UNL     1      -2.357   3.687  -0.624  1.00  0.00           C  
HETATM   48  C   UNL     1      -2.010   4.936  -1.110  1.00  0.00           C  
HETATM   49  C   UNL     1      -0.678   5.307  -1.165  1.00  0.00           C  
HETATM   50  H   UNL     1      -5.965  -1.467  -2.977  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.885  -2.984  -2.048  1.00  0.00           H  
HETATM   52  H   UNL     1      -7.060  -2.813  -3.375  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.988  -1.321  -1.136  1.00  0.00           H  
HETATM   54  H   UNL     1     -11.153  -0.370   0.962  1.00  0.00           H  
HETATM   55  H   UNL     1      -9.874  -0.603   2.178  1.00  0.00           H  
HETATM   56  H   UNL     1      -9.954   0.913   1.248  1.00  0.00           H  
HETATM   57  H   UNL     1      -8.119   0.541   2.187  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.693   0.842   2.472  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.475   0.032   1.924  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.180  -0.870   0.418  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.514   1.208  -0.893  1.00  0.00           H  
HETATM   62  H   UNL     1      -3.809   2.110   0.613  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.528   1.420   1.409  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.167  -1.795  -1.354  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.200  -3.208   1.147  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.078  -2.988  -0.386  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.071  -5.254  -0.191  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.428  -4.341  -1.569  1.00  0.00           H  
HETATM   69  H   UNL     1       0.980  -5.526   0.629  1.00  0.00           H  
HETATM   70  H   UNL     1       1.629  -4.723  -0.812  1.00  0.00           H  
HETATM   71  H   UNL     1       0.932  -3.482   1.863  1.00  0.00           H  
HETATM   72  H   UNL     1       2.516  -3.546   1.055  1.00  0.00           H  
HETATM   73  H   UNL     1       3.580  -1.526   1.620  1.00  0.00           H  
HETATM   74  H   UNL     1       3.084  -3.508  -0.243  1.00  0.00           H  
HETATM   75  H   UNL     1       5.630  -3.063   1.381  1.00  0.00           H  
HETATM   76  H   UNL     1       4.117  -3.770   1.997  1.00  0.00           H  
HETATM   77  H   UNL     1       5.742  -5.540   1.388  1.00  0.00           H  
HETATM   78  H   UNL     1       4.302  -5.609   0.344  1.00  0.00           H  
HETATM   79  H   UNL     1       6.952  -4.269  -0.363  1.00  0.00           H  
HETATM   80  H   UNL     1       6.381  -5.833  -0.990  1.00  0.00           H  
HETATM   81  H   UNL     1       5.919  -4.007  -2.602  1.00  0.00           H  
HETATM   82  H   UNL     1       4.406  -4.713  -1.987  1.00  0.00           H  
HETATM   83  H   UNL     1       4.294  -2.236  -1.994  1.00  0.00           H  
HETATM   84  H   UNL     1       5.734  -2.168  -0.949  1.00  0.00           H  
HETATM   85  H   UNL     1       4.963  -0.660  -0.816  1.00  0.00           H  
HETATM   86  H   UNL     1       7.117   0.896   0.420  1.00  0.00           H  
HETATM   87  H   UNL     1       7.194   2.668   0.273  1.00  0.00           H  
HETATM   88  H   UNL     1       6.554   1.925   1.758  1.00  0.00           H  
HETATM   89  H   UNL     1       5.800   0.799  -1.717  1.00  0.00           H  
HETATM   90  H   UNL     1       4.296   1.738  -1.872  1.00  0.00           H  
HETATM   91  H   UNL     1       5.867   2.573  -1.844  1.00  0.00           H  
HETATM   92  H   UNL     1       5.665   4.847   0.621  1.00  0.00           H  
HETATM   93  H   UNL     1       4.382   4.660   1.840  1.00  0.00           H  
HETATM   94  H   UNL     1       5.863   3.678   1.949  1.00  0.00           H  
HETATM   95  H   UNL     1       1.812   4.225   1.173  1.00  0.00           H  
HETATM   96  H   UNL     1       3.114   5.260   0.538  1.00  0.00           H  
HETATM   97  H   UNL     1       0.717   2.485   0.072  1.00  0.00           H  
HETATM   98  H   UNL     1      -3.397   3.396  -0.582  1.00  0.00           H  
HETATM   99  H   UNL     1      -2.776   5.619  -1.444  1.00  0.00           H  
HETATM  100  H   UNL     1      -0.404   6.283  -1.537  1.00  0.00           H  
CONECT    1    2   50   51   52                                       
CONECT    2    1    3                                                 
CONECT    3    2    4    4    5                                       
CONECT    4    3    3   10   53                                       
CONECT    5    3    6    8    8                                       
CONECT    6    5    7                                                 
CONECT    7    6   54   55   56                                       
CONECT    8    5    5    9   57                                       
CONECT    9   10   10    8   58                                       
CONECT   10    4   11    9    9                                       
CONECT   11   10   12   59   60                                       
CONECT   12   11   13   61   62                                       
CONECT   13   12   14   46   63                                       
CONECT   14   13   15                                                 
CONECT   15   14   17   16   16                                       
CONECT   16   15   15                                                 
CONECT   17   15   22   18   64                                       
CONECT   18   17   19   65   66                                       
CONECT   19   18   20   67   68                                       
CONECT   20   21   19   69   70                                       
CONECT   21   22   20   71   72                                       
CONECT   22   23   17   21                                            
CONECT   23   24   24   25   22                                       
CONECT   24   23   23                                                 
CONECT   25   26   32   23   73                                       
CONECT   26   31   27   25   74                                       
CONECT   27   28   26   75   76                                       
CONECT   28   29   27   77   78                                       
CONECT   29   30   28   79   80                                       
CONECT   30   29   31   81   82                                       
CONECT   31   30   26   83   84                                       
CONECT   32   33   25   85                                            
CONECT   33   35   32   34   34                                       
CONECT   34   33   33                                                 
CONECT   35   37   38   36   33                                       
CONECT   36   35   86   87   88                                       
CONECT   37   35   89   90   91                                       
CONECT   38   39   35   40                                            
CONECT   39   38   92   93   94                                       
CONECT   40   38   42   41   41                                       
CONECT   41   40   40                                                 
CONECT   42   40   43   95   96                                       
CONECT   43   42   44                                                 
CONECT   44   45   43   49   49                                       
CONECT   45   46   46   44   97                                       
CONECT   46   13   45   45   47                                       
CONECT   47   46   48   48   98                                       
CONECT   48   47   47   49   99                                       
CONECT   49   44   44   48  100                                       
CONECT   50    1                                                      
CONECT   51    1                                                      
CONECT   52    1                                                      
CONECT   53    4                                                      
CONECT   54    7                                                      
CONECT   55    7                                                      
CONECT   56    7                                                      
CONECT   57    8                                                      
CONECT   58    9                                                      
CONECT   59   11                                                      
CONECT   60   11                                                      
CONECT   61   12                                                      
CONECT   62   12                                                      
CONECT   63   13                                                      
CONECT   64   17                                                      
CONECT   65   18                                                      
CONECT   66   18                                                      
CONECT   67   19                                                      
CONECT   68   19                                                      
CONECT   69   20                                                      
CONECT   70   20                                                      
CONECT   71   21                                                      
CONECT   72   21                                                      
CONECT   73   25                                                      
CONECT   74   26                                                      
CONECT   75   27                                                      
CONECT   76   27                                                      
CONECT   77   28                                                      
CONECT   78   28                                                      
CONECT   79   29                                                      
CONECT   80   29                                                      
CONECT   81   30                                                      
CONECT   82   30                                                      
CONECT   83   31                                                      
CONECT   84   31                                                      
CONECT   85   32                                                      
CONECT   86   36                                                      
CONECT   87   36                                                      
CONECT   88   36                                                      
CONECT   89   37                                                      
CONECT   90   37                                                      
CONECT   91   37                                                      
CONECT   92   39                                                      
CONECT   93   39                                                      
CONECT   94   39                                                      
CONECT   95   42                                                      
CONECT   96   42                                                      
CONECT   97   45                                                      
CONECT   98   47                                                      
CONECT   99   48                                                      
CONECT  100   49                                                      
MASTER        0    0    0    0    0    0    0    0  100    0  100    0
END
