COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       7.331  -0.562  -0.151  1.00  0.00           N  
HETATM    2  N   UNL     1      -2.976  -0.958   0.303  1.00  0.00           N  
HETATM    3  C   UNL     1      -2.816   2.735   0.299  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.636   1.337   0.832  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.641   0.363   0.166  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.265   0.762   0.407  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.267   0.858   1.563  1.00  0.00           C  
HETATM    8  C   UNL     1       3.004   0.875  -0.301  1.00  0.00           C  
HETATM    9  C   UNL     1       5.266  -1.161  -0.587  1.00  0.00           C  
HETATM   10  C   UNL     1       3.762  -1.320  -2.552  1.00  0.00           C  
HETATM   11  C   UNL     1       7.158  -2.471  -1.770  1.00  0.00           C  
HETATM   12  C   UNL     1       7.131   0.760   2.871  1.00  0.00           C  
HETATM   13  C   UNL     1       3.217  -0.559   1.730  1.00  0.00           C  
HETATM   14  C   UNL     1       1.906   0.039   2.245  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.518  -1.922  -0.663  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.757  -2.969   1.223  1.00  0.00           C  
HETATM   17  C   UNL     1      -6.745  -2.983  -1.695  1.00  0.00           C  
HETATM   18  O   UNL     1      -3.710  -2.877   1.819  1.00  0.00           O  
HETATM   19  O   UNL     1      -5.812  -3.559   1.807  1.00  0.00           O  
HETATM   20  C   UNL     1      -4.879  -2.422  -0.176  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.906  -1.271  -0.205  1.00  0.00           C  
HETATM   22  C   UNL     1      -7.226  -1.950  -0.646  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.413  -3.511  -1.123  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.538  -0.712   0.057  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.010   3.788   1.174  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.170   5.072   0.688  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.136   5.305  -0.674  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.780   2.966  -1.063  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.941   4.251  -1.551  1.00  0.00           C  
HETATM   30  F   UNL     1      -2.906   4.478  -2.883  1.00  0.00           F  
HETATM   31  N   UNL     1       1.055   0.409   1.107  1.00  0.00           N  
HETATM   32  C   UNL     1       3.931   0.471   0.849  1.00  0.00           C  
HETATM   33  C   UNL     1       1.699   1.431   0.273  1.00  0.00           C  
HETATM   34  C   UNL     1       5.193  -0.133   0.290  1.00  0.00           C  
HETATM   35  N   UNL     1       6.454   0.254   0.576  1.00  0.00           N  
HETATM   36  C   UNL     1       6.839   1.337   1.484  1.00  0.00           C  
HETATM   37  C   UNL     1       6.617  -1.410  -0.847  1.00  0.00           C  
HETATM   38  C   UNL     1       7.303  -1.895  -3.180  1.00  0.00           C  
HETATM   39  C   UNL     1       4.097  -1.905  -1.179  1.00  0.00           C  
HETATM   40  H   UNL     1      -2.741   1.322   1.916  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.783   0.616  -0.885  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.593   0.371   0.697  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.885   1.295  -0.465  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.203   1.892   1.903  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.602   0.226   2.385  1.00  0.00           H  
HETATM   46  H   UNL     1       3.490   1.640  -0.908  1.00  0.00           H  
HETATM   47  H   UNL     1       2.789   0.003  -0.919  1.00  0.00           H  
HETATM   48  H   UNL     1       4.572  -1.540  -3.248  1.00  0.00           H  
HETATM   49  H   UNL     1       2.837  -1.764  -2.920  1.00  0.00           H  
HETATM   50  H   UNL     1       3.638  -0.241  -2.467  1.00  0.00           H  
HETATM   51  H   UNL     1       8.133  -2.802  -1.411  1.00  0.00           H  
HETATM   52  H   UNL     1       6.472  -3.318  -1.792  1.00  0.00           H  
HETATM   53  H   UNL     1       6.270   0.188   3.216  1.00  0.00           H  
HETATM   54  H   UNL     1       8.002   0.106   2.816  1.00  0.00           H  
HETATM   55  H   UNL     1       7.331   1.573   3.568  1.00  0.00           H  
HETATM   56  H   UNL     1       3.855  -0.819   2.575  1.00  0.00           H  
HETATM   57  H   UNL     1       3.005  -1.454   1.145  1.00  0.00           H  
HETATM   58  H   UNL     1       1.389  -0.697   2.862  1.00  0.00           H  
HETATM   59  H   UNL     1       2.121   0.926   2.842  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.634  -1.439  -1.633  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.834  -2.766  -0.757  1.00  0.00           H  
HETATM   62  H   UNL     1      -7.466  -3.795  -1.791  1.00  0.00           H  
HETATM   63  H   UNL     1      -6.582  -2.501  -2.659  1.00  0.00           H  
HETATM   64  H   UNL     1      -5.686  -3.895   2.705  1.00  0.00           H  
HETATM   65  H   UNL     1      -6.016  -0.832   0.787  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.606  -0.511  -0.926  1.00  0.00           H  
HETATM   67  H   UNL     1      -7.901  -1.225  -1.100  1.00  0.00           H  
HETATM   68  H   UNL     1      -7.704  -2.450   0.197  1.00  0.00           H  
HETATM   69  H   UNL     1      -5.583  -4.435  -0.571  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.702  -3.684  -1.931  1.00  0.00           H  
HETATM   71  H   UNL     1      -0.936  -1.362   0.693  1.00  0.00           H  
HETATM   72  H   UNL     1      -1.304  -0.895  -0.992  1.00  0.00           H  
HETATM   73  H   UNL     1      -3.038   3.606   2.239  1.00  0.00           H  
HETATM   74  H   UNL     1      -3.322   5.893   1.372  1.00  0.00           H  
HETATM   75  H   UNL     1      -3.261   6.308  -1.054  1.00  0.00           H  
HETATM   76  H   UNL     1      -2.629   2.143  -1.746  1.00  0.00           H  
HETATM   77  H   UNL     1       4.178   1.350   1.444  1.00  0.00           H  
HETATM   78  H   UNL     1       1.915   2.312   0.879  1.00  0.00           H  
HETATM   79  H   UNL     1       1.032   1.707  -0.544  1.00  0.00           H  
HETATM   80  H   UNL     1       6.024   2.058   1.556  1.00  0.00           H  
HETATM   81  H   UNL     1       7.730   1.833   1.102  1.00  0.00           H  
HETATM   82  H   UNL     1       6.328  -1.564  -3.539  1.00  0.00           H  
HETATM   83  H   UNL     1       7.989  -1.048  -3.158  1.00  0.00           H  
HETATM   84  H   UNL     1       7.694  -2.662  -3.848  1.00  0.00           H  
HETATM   85  H   UNL     1       4.354  -2.959  -1.286  1.00  0.00           H  
HETATM   86  H   UNL     1       3.233  -1.807  -0.521  1.00  0.00           H  
CONECT    1   37   37   35                                            
CONECT    2   15    5   24                                            
CONECT    3    4   25   25   28                                       
CONECT    4    5    6    3   40                                       
CONECT    5    2    4   41   42                                       
CONECT    6   24    4    7   43                                       
CONECT    7    6   31   44   45                                       
CONECT    8   33   32   46   47                                       
CONECT    9   39   34   34   37                                       
CONECT   10   39   48   49   50                                       
CONECT   11   37   38   51   52                                       
CONECT   12   36   53   54   55                                       
CONECT   13   14   32   56   57                                       
CONECT   14   31   13   58   59                                       
CONECT   15   20    2   60   61                                       
CONECT   16   18   18   20   19                                       
CONECT   17   23   22   62   63                                       
CONECT   18   16   16                                                 
CONECT   19   16   64                                                 
CONECT   20   23   16   21   15                                       
CONECT   21   22   20   65   66                                       
CONECT   22   17   21   67   68                                       
CONECT   23   17   20   69   70                                       
CONECT   24    2    6   71   72                                       
CONECT   25    3    3   26   73                                       
CONECT   26   25   27   27   74                                       
CONECT   27   26   26   29   75                                       
CONECT   28    3   29   29   76                                       
CONECT   29   28   28   27   30                                       
CONECT   30   29                                                      
CONECT   31    7   33   14                                            
CONECT   32    8   13   34   77                                       
CONECT   33   31    8   78   79                                       
CONECT   34    9    9   32   35                                       
CONECT   35   34    1   36                                            
CONECT   36   35   12   80   81                                       
CONECT   37    9   11    1    1                                       
CONECT   38   11   82   83   84                                       
CONECT   39   10    9   85   86                                       
CONECT   40    4                                                      
CONECT   41    5                                                      
CONECT   42    5                                                      
CONECT   43    6                                                      
CONECT   44    7                                                      
CONECT   45    7                                                      
CONECT   46    8                                                      
CONECT   47    8                                                      
CONECT   48   10                                                      
CONECT   49   10                                                      
CONECT   50   10                                                      
CONECT   51   11                                                      
CONECT   52   11                                                      
CONECT   53   12                                                      
CONECT   54   12                                                      
CONECT   55   12                                                      
CONECT   56   13                                                      
CONECT   57   13                                                      
CONECT   58   14                                                      
CONECT   59   14                                                      
CONECT   60   15                                                      
CONECT   61   15                                                      
CONECT   62   17                                                      
CONECT   63   17                                                      
CONECT   64   19                                                      
CONECT   65   21                                                      
CONECT   66   21                                                      
CONECT   67   22                                                      
CONECT   68   22                                                      
CONECT   69   23                                                      
CONECT   70   23                                                      
CONECT   71   24                                                      
CONECT   72   24                                                      
CONECT   73   25                                                      
CONECT   74   26                                                      
CONECT   75   27                                                      
CONECT   76   28                                                      
CONECT   77   32                                                      
CONECT   78   33                                                      
CONECT   79   33                                                      
CONECT   80   36                                                      
CONECT   81   36                                                      
CONECT   82   38                                                      
CONECT   83   38                                                      
CONECT   84   38                                                      
CONECT   85   39                                                      
CONECT   86   39                                                      
MASTER        0    0    0    0    0    0    0    0   86    0   86    0
END
