COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  C   UNL     1       2.127  -2.523   0.585  1.00  0.00           C  
HETATM    2  C   UNL     1       2.248  -1.830  -0.712  1.00  0.00           C  
HETATM    3  C   UNL     1       1.825  -2.442  -1.812  1.00  0.00           C  
HETATM    4  C   UNL     1       1.900  -1.820  -3.179  1.00  0.00           C  
HETATM    5  N   UNL     1       0.634  -1.119  -3.469  1.00  0.00           N  
HETATM    6  C   UNL     1       0.039  -0.418  -2.475  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.450  -0.163  -2.542  1.00  0.00           C  
HETATM    8  N   UNL     1      -1.898   0.221  -1.180  1.00  0.00           N  
HETATM    9  C   UNL     1      -3.070   0.911  -1.111  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.489   1.579   0.153  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.549   1.832   1.294  1.00  0.00           C  
HETATM   12  N   UNL     1      -2.278   0.583   2.031  1.00  0.00           N  
HETATM   13  C   UNL     1      -2.093   0.718   3.376  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.876  -0.500   4.233  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.413  -0.229   5.660  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.149  -0.306   6.561  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.040   0.113   5.543  1.00  0.00           C  
HETATM   18  N   UNL     1      -0.427  -0.758   4.393  1.00  0.00           N  
HETATM   19  C   UNL     1       0.344  -1.592   3.684  1.00  0.00           C  
HETATM   20  C   UNL     1       1.791  -1.808   4.043  1.00  0.00           C  
HETATM   21  C   UNL     1       2.470  -2.654   2.963  1.00  0.00           C  
HETATM   22  N   UNL     1       2.549  -1.870   1.710  1.00  0.00           N  
HETATM   23  O   UNL     1       1.674  -3.646   0.646  1.00  0.00           O  
HETATM   24  C   UNL     1       3.089  -0.871  -3.298  1.00  0.00           C  
HETATM   25  C   UNL     1       3.119  -0.275  -4.682  1.00  0.00           C  
HETATM   26  C   UNL     1       2.446   0.903  -4.941  1.00  0.00           C  
HETATM   27  C   UNL     1       2.472   1.451  -6.209  1.00  0.00           C  
HETATM   28  C   UNL     1       3.174   0.816  -7.223  1.00  0.00           C  
HETATM   29  C   UNL     1       3.849  -0.366  -6.961  1.00  0.00           C  
HETATM   30  C   UNL     1       3.824  -0.907  -5.690  1.00  0.00           C  
HETATM   31  O   UNL     1       3.201   1.353  -8.472  1.00  0.00           O  
HETATM   32  O   UNL     1       0.660  -0.003  -1.523  1.00  0.00           O  
HETATM   33  C   UNL     1      -2.166  -1.440  -2.985  1.00  0.00           C  
HETATM   34  C   UNL     1      -3.650  -1.187  -3.051  1.00  0.00           C  
HETATM   35  C   UNL     1      -4.223  -0.734  -4.225  1.00  0.00           C  
HETATM   36  C   UNL     1      -5.584  -0.502  -4.286  1.00  0.00           C  
HETATM   37  C   UNL     1      -6.373  -0.722  -3.173  1.00  0.00           C  
HETATM   38  C   UNL     1      -5.801  -1.175  -1.999  1.00  0.00           C  
HETATM   39  C   UNL     1      -4.440  -1.412  -1.939  1.00  0.00           C  
HETATM   40  O   UNL     1      -3.779   1.020  -2.101  1.00  0.00           O  
HETATM   41  O   UNL     1      -4.651   1.927   0.262  1.00  0.00           O  
HETATM   42  C   UNL     1      -1.246   2.453   0.792  1.00  0.00           C  
HETATM   43  C   UNL     1      -0.324   2.735   1.980  1.00  0.00           C  
HETATM   44  C   UNL     1       0.980   3.356   1.477  1.00  0.00           C  
HETATM   45  N   UNL     1       1.863   3.625   2.615  1.00  0.00           N  
HETATM   46  C   UNL     1       3.100   4.187   2.407  1.00  0.00           C  
HETATM   47  N   UNL     1       3.929   4.440   3.474  1.00  0.00           N  
HETATM   48  N   UNL     1       3.488   4.480   1.197  1.00  0.00           N  
HETATM   49  O   UNL     1      -2.111   1.823   3.884  1.00  0.00           O  
HETATM   50  O   UNL     1      -0.132  -2.190   2.741  1.00  0.00           O  
HETATM   51  N   UNL     1       1.876  -2.513   5.326  1.00  0.00           N  
HETATM   52  C   UNL     1       2.931  -2.307   6.139  1.00  0.00           C  
HETATM   53  O   UNL     1       3.810  -1.539   5.810  1.00  0.00           O  
HETATM   54  H   UNL     1       2.677  -0.842  -0.739  1.00  0.00           H  
HETATM   55  H   UNL     1       1.408  -3.441  -1.717  1.00  0.00           H  
HETATM   56  H   UNL     1       2.023  -2.625  -3.918  1.00  0.00           H  
HETATM   57  H   UNL     1       0.242  -1.155  -4.363  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.652   0.642  -3.245  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.388  -0.027  -0.391  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.027   2.544   1.983  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.232  -0.280   1.595  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.369  -1.366   3.809  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.865   0.758   5.720  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.128  -0.999   5.946  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.210   0.404   7.383  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.985  -1.319   6.921  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.125   1.166   5.287  1.00  0.00           H  
HETATM   68  H   UNL     1       0.948  -0.129   5.919  1.00  0.00           H  
HETATM   69  H   UNL     1       2.298  -0.847   4.120  1.00  0.00           H  
HETATM   70  H   UNL     1       3.479  -2.915   3.293  1.00  0.00           H  
HETATM   71  H   UNL     1       1.900  -3.569   2.803  1.00  0.00           H  
HETATM   72  H   UNL     1       2.879  -0.956   1.682  1.00  0.00           H  
HETATM   73  H   UNL     1       2.992  -0.073  -2.562  1.00  0.00           H  
HETATM   74  H   UNL     1       4.012  -1.421  -3.119  1.00  0.00           H  
HETATM   75  H   UNL     1       1.899   1.397  -4.152  1.00  0.00           H  
HETATM   76  H   UNL     1       1.945   2.372  -6.411  1.00  0.00           H  
HETATM   77  H   UNL     1       4.396  -0.863  -7.749  1.00  0.00           H  
HETATM   78  H   UNL     1       4.350  -1.828  -5.485  1.00  0.00           H  
HETATM   79  H   UNL     1       3.965   1.945  -8.505  1.00  0.00           H  
HETATM   80  H   UNL     1      -1.804  -1.737  -3.969  1.00  0.00           H  
HETATM   81  H   UNL     1      -1.965  -2.236  -2.268  1.00  0.00           H  
HETATM   82  H   UNL     1      -3.606  -0.562  -5.095  1.00  0.00           H  
HETATM   83  H   UNL     1      -6.031  -0.148  -5.203  1.00  0.00           H  
HETATM   84  H   UNL     1      -7.436  -0.540  -3.220  1.00  0.00           H  
HETATM   85  H   UNL     1      -6.417  -1.347  -1.129  1.00  0.00           H  
HETATM   86  H   UNL     1      -3.993  -1.766  -1.022  1.00  0.00           H  
HETATM   87  H   UNL     1      -1.464   3.386   0.273  1.00  0.00           H  
HETATM   88  H   UNL     1      -0.755   1.762   0.107  1.00  0.00           H  
HETATM   89  H   UNL     1      -0.105   1.801   2.500  1.00  0.00           H  
HETATM   90  H   UNL     1      -0.815   3.425   2.665  1.00  0.00           H  
HETATM   91  H   UNL     1       0.761   4.289   0.958  1.00  0.00           H  
HETATM   92  H   UNL     1       1.471   2.665   0.792  1.00  0.00           H  
HETATM   93  H   UNL     1       1.574   3.407   3.515  1.00  0.00           H  
HETATM   94  H   UNL     1       4.802   4.837   3.328  1.00  0.00           H  
HETATM   95  H   UNL     1       3.638   4.226   4.375  1.00  0.00           H  
HETATM   96  H   UNL     1       2.903   4.302   0.444  1.00  0.00           H  
HETATM   97  H   UNL     1       1.173  -3.127   5.589  1.00  0.00           H  
HETATM   98  H   UNL     1       2.994  -2.826   7.084  1.00  0.00           H  
CONECT    1    2   22   23   23                                       
CONECT    2    1    3    3   54                                       
CONECT    3    2    2    4   55                                       
CONECT    4    3    5   24   56                                       
CONECT    5    4    6   57                                            
CONECT    6    5    7   32   32                                       
CONECT    7    6    8   33   58                                       
CONECT    8    7    9   59                                            
CONECT    9    8   10   40   40                                       
CONECT   10    9   11   41   41                                       
CONECT   11   10   12   42   60                                       
CONECT   12   11   13   61                                            
CONECT   13   12   14   49   49                                       
CONECT   14   13   15   18   62                                       
CONECT   15   14   16   63   64                                       
CONECT   16   15   17   65   66                                       
CONECT   17   16   18   67   68                                       
CONECT   18   14   17   19                                            
CONECT   19   18   20   50   50                                       
CONECT   20   19   21   51   69                                       
CONECT   21   20   22   70   71                                       
CONECT   22    1   21   72                                            
CONECT   23    1    1                                                 
CONECT   24    4   25   73   74                                       
CONECT   25   24   26   26   30                                       
CONECT   26   25   25   27   75                                       
CONECT   27   26   28   28   76                                       
CONECT   28   27   27   29   31                                       
CONECT   29   28   30   30   77                                       
CONECT   30   25   29   29   78                                       
CONECT   31   28   79                                                 
CONECT   32    6    6                                                 
CONECT   33    7   34   80   81                                       
CONECT   34   33   35   35   39                                       
CONECT   35   34   34   36   82                                       
CONECT   36   35   37   37   83                                       
CONECT   37   36   36   38   84                                       
CONECT   38   37   39   39   85                                       
CONECT   39   34   38   38   86                                       
CONECT   40    9    9                                                 
CONECT   41   10   10                                                 
CONECT   42   11   43   87   88                                       
CONECT   43   42   44   89   90                                       
CONECT   44   43   45   91   92                                       
CONECT   45   44   46   93                                            
CONECT   46   45   47   48   48                                       
CONECT   47   46   94   95                                            
CONECT   48   46   46   96                                            
CONECT   49   13   13                                                 
CONECT   50   19   19                                                 
CONECT   51   20   52   97                                            
CONECT   52   51   53   53   98                                       
CONECT   53   52   52                                                 
CONECT   54    2                                                      
CONECT   55    3                                                      
CONECT   56    4                                                      
CONECT   57    5                                                      
CONECT   58    7                                                      
CONECT   59    8                                                      
CONECT   60   11                                                      
CONECT   61   12                                                      
CONECT   62   14                                                      
CONECT   63   15                                                      
CONECT   64   15                                                      
CONECT   65   16                                                      
CONECT   66   16                                                      
CONECT   67   17                                                      
CONECT   68   17                                                      
CONECT   69   20                                                      
CONECT   70   21                                                      
CONECT   71   21                                                      
CONECT   72   22                                                      
CONECT   73   24                                                      
CONECT   74   24                                                      
CONECT   75   26                                                      
CONECT   76   27                                                      
CONECT   77   29                                                      
CONECT   78   30                                                      
CONECT   79   31                                                      
CONECT   80   33                                                      
CONECT   81   33                                                      
CONECT   82   35                                                      
CONECT   83   36                                                      
CONECT   84   37                                                      
CONECT   85   38                                                      
CONECT   86   39                                                      
CONECT   87   42                                                      
CONECT   88   42                                                      
CONECT   89   43                                                      
CONECT   90   43                                                      
CONECT   91   44                                                      
CONECT   92   44                                                      
CONECT   93   45                                                      
CONECT   94   47                                                      
CONECT   95   47                                                      
CONECT   96   48                                                      
CONECT   97   51                                                      
CONECT   98   52                                                      
MASTER        0    0    0    0    0    0    0    0   98    0   98    0
END
