COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       2.601   3.237   0.897  1.00  0.00           O  
HETATM    2  C   UNL     1       3.298   3.304  -0.096  1.00  0.00           C  
HETATM    3  O   UNL     1       4.255   4.248  -0.185  1.00  0.00           O  
HETATM    4  C   UNL     1       4.396   5.151   0.943  1.00  0.00           C  
HETATM    5  C   UNL     1       4.727   4.348   2.202  1.00  0.00           C  
HETATM    6  C   UNL     1       5.524   6.146   0.661  1.00  0.00           C  
HETATM    7  C   UNL     1       3.086   5.913   1.154  1.00  0.00           C  
HETATM    8  O   UNL     1       0.660   3.203  -0.462  1.00  0.00           O  
HETATM    9  C   UNL     1       0.734   2.056  -0.848  1.00  0.00           C  
HETATM   10  C   UNL     1       2.082   1.399  -1.006  1.00  0.00           C  
HETATM   11  N   UNL     1       3.118   2.430  -1.105  1.00  0.00           N  
HETATM   12  C   UNL     1       2.361   0.510   0.207  1.00  0.00           C  
HETATM   13  C   UNL     1       3.651  -0.241  -0.006  1.00  0.00           C  
HETATM   14  C   UNL     1       3.635  -1.477  -0.625  1.00  0.00           C  
HETATM   15  C   UNL     1       4.815  -2.167  -0.822  1.00  0.00           C  
HETATM   16  C   UNL     1       6.017  -1.618  -0.398  1.00  0.00           C  
HETATM   17  C   UNL     1       6.030  -0.378   0.222  1.00  0.00           C  
HETATM   18  C   UNL     1       4.847   0.311   0.412  1.00  0.00           C  
HETATM   19  O   UNL     1       7.180  -2.296  -0.590  1.00  0.00           O  
HETATM   20  C   UNL     1       8.379  -1.670  -0.128  1.00  0.00           C  
HETATM   21  C   UNL     1       9.557  -2.562  -0.425  1.00  0.00           C  
HETATM   22  C   UNL     1       9.960  -3.505   0.502  1.00  0.00           C  
HETATM   23  C   UNL     1      11.041  -4.323   0.230  1.00  0.00           C  
HETATM   24  C   UNL     1      11.718  -4.198  -0.969  1.00  0.00           C  
HETATM   25  C   UNL     1      11.314  -3.255  -1.895  1.00  0.00           C  
HETATM   26  C   UNL     1      10.231  -2.440  -1.625  1.00  0.00           C  
HETATM   27  N   UNL     1      -0.388   1.368  -1.136  1.00  0.00           N  
HETATM   28  C   UNL     1      -1.698   2.006  -0.983  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.748   0.949  -0.757  1.00  0.00           C  
HETATM   30  O   UNL     1      -2.434  -0.222  -0.728  1.00  0.00           O  
HETATM   31  C   UNL     1      -2.032   2.795  -2.250  1.00  0.00           C  
HETATM   32  N   UNL     1      -4.037   1.304  -0.589  1.00  0.00           N  
HETATM   33  C   UNL     1      -5.058   0.277  -0.370  1.00  0.00           C  
HETATM   34  C   UNL     1      -5.114  -0.078   1.117  1.00  0.00           C  
HETATM   35  C   UNL     1      -3.813  -0.715   1.531  1.00  0.00           C  
HETATM   36  C   UNL     1      -2.720  -0.076   2.000  1.00  0.00           C  
HETATM   37  O   UNL     1      -2.616   1.265   2.178  1.00  0.00           O  
HETATM   38  N   UNL     1      -1.732  -0.985   2.271  1.00  0.00           N  
HETATM   39  C   UNL     1      -2.174  -2.259   1.977  1.00  0.00           C  
HETATM   40  C   UNL     1      -1.589  -3.516   2.064  1.00  0.00           C  
HETATM   41  C   UNL     1      -2.305  -4.633   1.685  1.00  0.00           C  
HETATM   42  C   UNL     1      -3.605  -4.514   1.217  1.00  0.00           C  
HETATM   43  C   UNL     1      -4.200  -3.286   1.123  1.00  0.00           C  
HETATM   44  C   UNL     1      -3.496  -2.144   1.507  1.00  0.00           C  
HETATM   45  C   UNL     1      -6.400   0.800  -0.812  1.00  0.00           C  
HETATM   46  O   UNL     1      -6.495   1.921  -1.266  1.00  0.00           O  
HETATM   47  N   UNL     1      -7.496   0.023  -0.704  1.00  0.00           N  
HETATM   48  C   UNL     1      -8.801   0.531  -1.135  1.00  0.00           C  
HETATM   49  C   UNL     1      -9.851  -0.526  -0.910  1.00  0.00           C  
HETATM   50  C   UNL     1     -10.528  -0.582   0.294  1.00  0.00           C  
HETATM   51  C   UNL     1     -11.492  -1.551   0.501  1.00  0.00           C  
HETATM   52  C   UNL     1     -11.778  -2.464  -0.497  1.00  0.00           C  
HETATM   53  C   UNL     1     -11.101  -2.408  -1.701  1.00  0.00           C  
HETATM   54  C   UNL     1     -10.141  -1.436  -1.909  1.00  0.00           C  
HETATM   55  H   UNL     1       5.661   3.805   2.052  1.00  0.00           H  
HETATM   56  H   UNL     1       4.833   5.026   3.049  1.00  0.00           H  
HETATM   57  H   UNL     1       3.924   3.639   2.403  1.00  0.00           H  
HETATM   58  H   UNL     1       5.288   6.718  -0.236  1.00  0.00           H  
HETATM   59  H   UNL     1       5.630   6.824   1.508  1.00  0.00           H  
HETATM   60  H   UNL     1       6.457   5.604   0.511  1.00  0.00           H  
HETATM   61  H   UNL     1       2.282   5.204   1.355  1.00  0.00           H  
HETATM   62  H   UNL     1       3.192   6.591   2.000  1.00  0.00           H  
HETATM   63  H   UNL     1       2.850   6.485   0.257  1.00  0.00           H  
HETATM   64  H   UNL     1       2.086   0.791  -1.911  1.00  0.00           H  
HETATM   65  H   UNL     1       3.675   2.483  -1.898  1.00  0.00           H  
HETATM   66  H   UNL     1       2.445   1.130   1.100  1.00  0.00           H  
HETATM   67  H   UNL     1       1.544  -0.200   0.333  1.00  0.00           H  
HETATM   68  H   UNL     1       2.699  -1.903  -0.955  1.00  0.00           H  
HETATM   69  H   UNL     1       4.803  -3.133  -1.305  1.00  0.00           H  
HETATM   70  H   UNL     1       6.964   0.051   0.553  1.00  0.00           H  
HETATM   71  H   UNL     1       4.858   1.279   0.891  1.00  0.00           H  
HETATM   72  H   UNL     1       8.509  -0.715  -0.636  1.00  0.00           H  
HETATM   73  H   UNL     1       8.311  -1.504   0.947  1.00  0.00           H  
HETATM   74  H   UNL     1       9.431  -3.603   1.438  1.00  0.00           H  
HETATM   75  H   UNL     1      11.357  -5.060   0.954  1.00  0.00           H  
HETATM   76  H   UNL     1      12.563  -4.836  -1.181  1.00  0.00           H  
HETATM   77  H   UNL     1      11.844  -3.156  -2.832  1.00  0.00           H  
HETATM   78  H   UNL     1       9.913  -1.706  -2.351  1.00  0.00           H  
HETATM   79  H   UNL     1      -0.329   0.450  -1.445  1.00  0.00           H  
HETATM   80  H   UNL     1      -1.675   2.682  -0.128  1.00  0.00           H  
HETATM   81  H   UNL     1      -2.056   2.118  -3.104  1.00  0.00           H  
HETATM   82  H   UNL     1      -3.007   3.270  -2.136  1.00  0.00           H  
HETATM   83  H   UNL     1      -1.273   3.560  -2.413  1.00  0.00           H  
HETATM   84  H   UNL     1      -4.289   2.241  -0.612  1.00  0.00           H  
HETATM   85  H   UNL     1      -4.807  -0.613  -0.947  1.00  0.00           H  
HETATM   86  H   UNL     1      -5.277   0.828   1.701  1.00  0.00           H  
HETATM   87  H   UNL     1      -5.933  -0.776   1.294  1.00  0.00           H  
HETATM   88  H   UNL     1      -2.890   1.568   3.054  1.00  0.00           H  
HETATM   89  H   UNL     1      -0.853  -0.766   2.618  1.00  0.00           H  
HETATM   90  H   UNL     1      -0.577  -3.619   2.426  1.00  0.00           H  
HETATM   91  H   UNL     1      -1.848  -5.609   1.753  1.00  0.00           H  
HETATM   92  H   UNL     1      -4.152  -5.398   0.924  1.00  0.00           H  
HETATM   93  H   UNL     1      -5.213  -3.201   0.757  1.00  0.00           H  
HETATM   94  H   UNL     1      -7.420  -0.874  -0.342  1.00  0.00           H  
HETATM   95  H   UNL     1      -9.052   1.422  -0.558  1.00  0.00           H  
HETATM   96  H   UNL     1      -8.761   0.784  -2.194  1.00  0.00           H  
HETATM   97  H   UNL     1     -10.305   0.132   1.073  1.00  0.00           H  
HETATM   98  H   UNL     1     -12.021  -1.595   1.441  1.00  0.00           H  
HETATM   99  H   UNL     1     -12.530  -3.222  -0.335  1.00  0.00           H  
HETATM  100  H   UNL     1     -11.325  -3.122  -2.480  1.00  0.00           H  
HETATM  101  H   UNL     1      -9.615  -1.389  -2.851  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3   11                                       
CONECT    3    2    4                                                 
CONECT    4    3    5    6    7                                       
CONECT    5    4   55   56   57                                       
CONECT    6    4   58   59   60                                       
CONECT    7    4   61   62   63                                       
CONECT    8    9    9                                                 
CONECT    9    8    8   10   27                                       
CONECT   10    9   12   11   64                                       
CONECT   11   10   65    2                                            
CONECT   12   10   13   66   67                                       
CONECT   13   12   18   18   14                                       
CONECT   14   13   15   15   68                                       
CONECT   15   14   14   16   69                                       
CONECT   16   15   17   17   19                                       
CONECT   17   16   16   18   70                                       
CONECT   18   13   13   17   71                                       
CONECT   19   16   20                                                 
CONECT   20   19   21   72   73                                       
CONECT   21   20   22   22   26                                       
CONECT   22   21   21   23   74                                       
CONECT   23   22   24   24   75                                       
CONECT   24   23   23   25   76                                       
CONECT   25   24   26   26   77                                       
CONECT   26   21   25   25   78                                       
CONECT   27   28   79    9                                            
CONECT   28   27   29   31   80                                       
CONECT   29   28   30   30   32                                       
CONECT   30   29   29                                                 
CONECT   31   28   81   82   83                                       
CONECT   32   33   84   29                                            
CONECT   33   32   34   45   85                                       
CONECT   34   33   35   86   87                                       
CONECT   35   34   36   36   44                                       
CONECT   36   35   35   37   38                                       
CONECT   37   36   88                                                 
CONECT   38   36   39   89                                            
CONECT   39   38   40   40   44                                       
CONECT   40   39   39   41   90                                       
CONECT   41   40   42   42   91                                       
CONECT   42   41   41   43   92                                       
CONECT   43   42   44   44   93                                       
CONECT   44   35   39   43   43                                       
CONECT   45   33   46   46   47                                       
CONECT   46   45   45                                                 
CONECT   47   48   94   45                                            
CONECT   48   47   49   95   96                                       
CONECT   49   48   50   50   54                                       
CONECT   50   49   49   51   97                                       
CONECT   51   50   52   52   98                                       
CONECT   52   51   51   53   99                                       
CONECT   53   52   54   54  100                                       
CONECT   54   49   53   53  101                                       
CONECT   55    5                                                      
CONECT   56    5                                                      
CONECT   57    5                                                      
CONECT   58    6                                                      
CONECT   59    6                                                      
CONECT   60    6                                                      
CONECT   61    7                                                      
CONECT   62    7                                                      
CONECT   63    7                                                      
CONECT   64   10                                                      
CONECT   65   11                                                      
CONECT   66   12                                                      
CONECT   67   12                                                      
CONECT   68   14                                                      
CONECT   69   15                                                      
CONECT   70   17                                                      
CONECT   71   18                                                      
CONECT   72   20                                                      
CONECT   73   20                                                      
CONECT   74   22                                                      
CONECT   75   23                                                      
CONECT   76   24                                                      
CONECT   77   25                                                      
CONECT   78   26                                                      
CONECT   79   27                                                      
CONECT   80   28                                                      
CONECT   81   31                                                      
CONECT   82   31                                                      
CONECT   83   31                                                      
CONECT   84   32                                                      
CONECT   85   33                                                      
CONECT   86   34                                                      
CONECT   87   34                                                      
CONECT   88   37                                                      
CONECT   89   38                                                      
CONECT   90   40                                                      
CONECT   91   41                                                      
CONECT   92   42                                                      
CONECT   93   43                                                      
CONECT   94   47                                                      
CONECT   95   48                                                      
CONECT   96   48                                                      
CONECT   97   50                                                      
CONECT   98   51                                                      
CONECT   99   52                                                      
CONECT  100   53                                                      
CONECT  101   54                                                      
MASTER        0    0    0    0    0    0    0    0  101    0  101    0
END
