COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       8.586   3.014   1.627  1.00  0.00           C  
HETATM    2  C   UNL     1       8.641   2.584   0.314  1.00  0.00           C  
HETATM    3  C   UNL     1       7.492   2.144  -0.317  1.00  0.00           C  
HETATM    4  C   UNL     1       5.038   1.653  -0.324  1.00  0.00           C  
HETATM    5  C   UNL     1       4.882   0.147  -0.107  1.00  0.00           C  
HETATM    6  C   UNL     1       1.150  -0.573  -0.567  1.00  0.00           C  
HETATM    7  C   UNL     1       2.006  -2.890  -0.945  1.00  0.00           C  
HETATM    8  C   UNL     1       2.569  -6.696  -1.094  1.00  0.00           C  
HETATM    9  C   UNL     1       2.795  -6.926   0.402  1.00  0.00           C  
HETATM   10  C   UNL     1       1.804  -6.079   1.203  1.00  0.00           C  
HETATM   11  C   UNL     1       0.027   0.239   0.025  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.499   2.092  -0.568  1.00  0.00           C  
HETATM   13  C   UNL     1       6.234   2.569   1.675  1.00  0.00           C  
HETATM   14  C   UNL     1       7.383   3.004   2.308  1.00  0.00           C  
HETATM   15  C   UNL     1       6.290   2.133   0.364  1.00  0.00           C  
HETATM   16  N   UNL     1       5.983  -0.559  -0.768  1.00  0.00           N  
HETATM   17  N   UNL     1       7.038  -0.413  -0.411  1.00  0.00           N1+
HETATM   18  N   UNL     1       8.094  -0.268  -0.054  1.00  0.00           N1-
HETATM   19  C   UNL     1       3.570  -0.312  -0.689  1.00  0.00           C  
HETATM   20  O   UNL     1       3.543  -0.846  -1.778  1.00  0.00           O  
HETATM   21  N   UNL     1       2.426  -0.128  -0.001  1.00  0.00           N  
HETATM   22  C   UNL     1       0.937  -2.053  -0.241  1.00  0.00           C  
HETATM   23  C   UNL     1       1.793  -4.370  -0.619  1.00  0.00           C  
HETATM   24  C   UNL     1       2.783  -5.217  -1.420  1.00  0.00           C  
HETATM   25  C   UNL     1       2.018  -4.600   0.877  1.00  0.00           C  
HETATM   26  O   UNL     1       0.268   1.104   0.839  1.00  0.00           O  
HETATM   27  N   UNL     1      -1.245   0.003  -0.351  1.00  0.00           N  
HETATM   28  C   UNL     1      -2.337   0.793   0.224  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.264   2.939  -0.400  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.184   3.847   0.639  1.00  0.00           C  
HETATM   31  C   UNL     1      -0.051   4.624   0.792  1.00  0.00           C  
HETATM   32  C   UNL     1       1.002   4.493  -0.094  1.00  0.00           C  
HETATM   33  C   UNL     1       0.923   3.584  -1.133  1.00  0.00           C  
HETATM   34  C   UNL     1      -0.208   2.804  -1.283  1.00  0.00           C  
HETATM   35  C   UNL     1      -3.618   0.001   0.158  1.00  0.00           C  
HETATM   36  O   UNL     1      -3.619  -1.112  -0.322  1.00  0.00           O  
HETATM   37  N   UNL     1      -4.763   0.531   0.632  1.00  0.00           N  
HETATM   38  C   UNL     1      -6.027  -0.191   0.470  1.00  0.00           C  
HETATM   39  C   UNL     1      -6.230  -1.135   1.657  1.00  0.00           C  
HETATM   40  C   UNL     1      -7.474  -1.993   1.419  1.00  0.00           C  
HETATM   41  C   UNL     1      -7.237  -2.914   0.221  1.00  0.00           C  
HETATM   42  C   UNL     1      -7.757  -2.838   2.663  1.00  0.00           C  
HETATM   43  C   UNL     1      -7.183   0.810   0.411  1.00  0.00           C  
HETATM   44  O   UNL     1      -7.284   1.495   1.661  1.00  0.00           O  
HETATM   45  C   UNL     1      -6.924   1.822  -0.706  1.00  0.00           C  
HETATM   46  C   UNL     1      -8.004   2.905  -0.673  1.00  0.00           C  
HETATM   47  C   UNL     1      -6.959   1.108  -2.059  1.00  0.00           C  
HETATM   48  O   UNL     1      -6.603   2.029  -3.092  1.00  0.00           O  
HETATM   49  H   UNL     1       9.484   3.355   2.122  1.00  0.00           H  
HETATM   50  H   UNL     1       9.580   2.593  -0.218  1.00  0.00           H  
HETATM   51  H   UNL     1       7.535   1.808  -1.343  1.00  0.00           H  
HETATM   52  H   UNL     1       5.108   1.860  -1.392  1.00  0.00           H  
HETATM   53  H   UNL     1       4.174   2.171   0.091  1.00  0.00           H  
HETATM   54  H   UNL     1       4.901  -0.070   0.961  1.00  0.00           H  
HETATM   55  H   UNL     1       1.166  -0.438  -1.648  1.00  0.00           H  
HETATM   56  H   UNL     1       1.933  -2.741  -2.022  1.00  0.00           H  
HETATM   57  H   UNL     1       2.994  -2.581  -0.601  1.00  0.00           H  
HETATM   58  H   UNL     1       3.275  -7.300  -1.665  1.00  0.00           H  
HETATM   59  H   UNL     1       1.551  -6.983  -1.356  1.00  0.00           H  
HETATM   60  H   UNL     1       2.642  -7.981   0.634  1.00  0.00           H  
HETATM   61  H   UNL     1       3.813  -6.640   0.664  1.00  0.00           H  
HETATM   62  H   UNL     1       0.786  -6.366   0.941  1.00  0.00           H  
HETATM   63  H   UNL     1       1.965  -6.243   2.269  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.640   1.859  -1.623  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.367   2.638  -0.197  1.00  0.00           H  
HETATM   66  H   UNL     1       5.294   2.560   2.207  1.00  0.00           H  
HETATM   67  H   UNL     1       7.341   3.335   3.335  1.00  0.00           H  
HETATM   68  H   UNL     1       2.447   0.299   0.870  1.00  0.00           H  
HETATM   69  H   UNL     1       1.010  -2.202   0.837  1.00  0.00           H  
HETATM   70  H   UNL     1      -0.051  -2.362  -0.584  1.00  0.00           H  
HETATM   71  H   UNL     1       0.774  -4.656  -0.881  1.00  0.00           H  
HETATM   72  H   UNL     1       3.802  -4.930  -1.158  1.00  0.00           H  
HETATM   73  H   UNL     1       2.623  -5.053  -2.485  1.00  0.00           H  
HETATM   74  H   UNL     1       1.312  -3.996   1.448  1.00  0.00           H  
HETATM   75  H   UNL     1       3.036  -4.313   1.140  1.00  0.00           H  
HETATM   76  H   UNL     1      -1.439  -0.689  -1.003  1.00  0.00           H  
HETATM   77  H   UNL     1      -2.108   1.026   1.264  1.00  0.00           H  
HETATM   78  H   UNL     1      -2.006   3.949   1.331  1.00  0.00           H  
HETATM   79  H   UNL     1       0.012   5.334   1.603  1.00  0.00           H  
HETATM   80  H   UNL     1       1.887   5.101   0.025  1.00  0.00           H  
HETATM   81  H   UNL     1       1.745   3.482  -1.825  1.00  0.00           H  
HETATM   82  H   UNL     1      -0.269   2.091  -2.092  1.00  0.00           H  
HETATM   83  H   UNL     1      -4.750   1.391   1.081  1.00  0.00           H  
HETATM   84  H   UNL     1      -5.999  -0.769  -0.453  1.00  0.00           H  
HETATM   85  H   UNL     1      -5.358  -1.781   1.761  1.00  0.00           H  
HETATM   86  H   UNL     1      -6.361  -0.551   2.568  1.00  0.00           H  
HETATM   87  H   UNL     1      -8.328  -1.347   1.217  1.00  0.00           H  
HETATM   88  H   UNL     1      -8.149  -3.471   0.004  1.00  0.00           H  
HETATM   89  H   UNL     1      -6.962  -2.316  -0.648  1.00  0.00           H  
HETATM   90  H   UNL     1      -6.432  -3.611   0.452  1.00  0.00           H  
HETATM   91  H   UNL     1      -6.903  -3.485   2.865  1.00  0.00           H  
HETATM   92  H   UNL     1      -7.926  -2.182   3.517  1.00  0.00           H  
HETATM   93  H   UNL     1      -8.644  -3.449   2.493  1.00  0.00           H  
HETATM   94  H   UNL     1      -8.113   0.278   0.212  1.00  0.00           H  
HETATM   95  H   UNL     1      -6.489   1.990   1.903  1.00  0.00           H  
HETATM   96  H   UNL     1      -5.945   2.280  -0.562  1.00  0.00           H  
HETATM   97  H   UNL     1      -8.988   2.440  -0.728  1.00  0.00           H  
HETATM   98  H   UNL     1      -7.922   3.472   0.254  1.00  0.00           H  
HETATM   99  H   UNL     1      -7.872   3.576  -1.522  1.00  0.00           H  
HETATM  100  H   UNL     1      -6.251   0.280  -2.051  1.00  0.00           H  
HETATM  101  H   UNL     1      -7.963   0.727  -2.243  1.00  0.00           H  
HETATM  102  H   UNL     1      -6.604   1.644  -3.980  1.00  0.00           H  
CONECT    1    2    2   14   49                                       
CONECT    2    1    1    3   50                                       
CONECT    3    2   15   15   51                                       
CONECT    4   15    5   52   53                                       
CONECT    5    4   19   16   54                                       
CONECT    6   22   21   11   55                                       
CONECT    7   23   22   56   57                                       
CONECT    8    9   24   58   59                                       
CONECT    9   10    8   60   61                                       
CONECT   10    9   25   62   63                                       
CONECT   11    6   26   26   27                                       
CONECT   12   28   29   64   65                                       
CONECT   13   14   14   15   66                                       
CONECT   14    1   13   13   67                                       
CONECT   15    3    3   13    4                                       
CONECT   16    5   17   17                                            
CONECT   17   18   18   16   16                                       
CONECT   18   17   17                                                 
CONECT   19   20   20    5   21                                       
CONECT   20   19   19                                                 
CONECT   21   19    6   68                                            
CONECT   22    7    6   69   70                                       
CONECT   23   25   24    7   71                                       
CONECT   24    8   23   72   73                                       
CONECT   25   10   23   74   75                                       
CONECT   26   11   11                                                 
CONECT   27   11   28   76                                            
CONECT   28   27   12   35   77                                       
CONECT   29   30   12   34   34                                       
CONECT   30   31   31   29   78                                       
CONECT   31   30   30   32   79                                       
CONECT   32   31   33   33   80                                       
CONECT   33   32   32   34   81                                       
CONECT   34   29   29   33   82                                       
CONECT   35   28   36   36   37                                       
CONECT   36   35   35                                                 
CONECT   37   35   38   83                                            
CONECT   38   37   39   43   84                                       
CONECT   39   40   38   85   86                                       
CONECT   40   42   41   39   87                                       
CONECT   41   40   88   89   90                                       
CONECT   42   40   91   92   93                                       
CONECT   43   38   45   44   94                                       
CONECT   44   43   95                                                 
CONECT   45   46   47   43   96                                       
CONECT   46   45   97   98   99                                       
CONECT   47   48   45  100  101                                       
CONECT   48   47  102                                                 
CONECT   49    1                                                      
CONECT   50    2                                                      
CONECT   51    3                                                      
CONECT   52    4                                                      
CONECT   53    4                                                      
CONECT   54    5                                                      
CONECT   55    6                                                      
CONECT   56    7                                                      
CONECT   57    7                                                      
CONECT   58    8                                                      
CONECT   59    8                                                      
CONECT   60    9                                                      
CONECT   61    9                                                      
CONECT   62   10                                                      
CONECT   63   10                                                      
CONECT   64   12                                                      
CONECT   65   12                                                      
CONECT   66   13                                                      
CONECT   67   14                                                      
CONECT   68   21                                                      
CONECT   69   22                                                      
CONECT   70   22                                                      
CONECT   71   23                                                      
CONECT   72   24                                                      
CONECT   73   24                                                      
CONECT   74   25                                                      
CONECT   75   25                                                      
CONECT   76   27                                                      
CONECT   77   28                                                      
CONECT   78   30                                                      
CONECT   79   31                                                      
CONECT   80   32                                                      
CONECT   81   33                                                      
CONECT   82   34                                                      
CONECT   83   37                                                      
CONECT   84   38                                                      
CONECT   85   39                                                      
CONECT   86   39                                                      
CONECT   87   40                                                      
CONECT   88   41                                                      
CONECT   89   41                                                      
CONECT   90   41                                                      
CONECT   91   42                                                      
CONECT   92   42                                                      
CONECT   93   42                                                      
CONECT   94   43                                                      
CONECT   95   44                                                      
CONECT   96   45                                                      
CONECT   97   46                                                      
CONECT   98   46                                                      
CONECT   99   46                                                      
CONECT  100   47                                                      
CONECT  101   47                                                      
CONECT  102   48                                                      
MASTER        0    0    0    0    0    0    0    0  102    0  102    0
END
