COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.632   1.815   1.357  1.00  0.00           C  
HETATM    2  C   UNL     1       3.308   2.300   1.952  1.00  0.00           C  
HETATM    3  C   UNL     1       3.566   3.506   2.857  1.00  0.00           C  
HETATM    4  C   UNL     1       4.359   0.646   0.406  1.00  0.00           C  
HETATM    5  C   UNL     1      -9.651  -3.542  -0.354  1.00  0.00           C  
HETATM    6  C   UNL     1     -10.854  -3.579  -1.033  1.00  0.00           C  
HETATM    7  C   UNL     1     -11.825  -2.633  -0.742  1.00  0.00           C  
HETATM    8  C   UNL     1     -11.547  -1.679   0.225  1.00  0.00           C  
HETATM    9  C   UNL     1     -10.321  -1.704   0.863  1.00  0.00           C  
HETATM   10  N   UNL     1      -9.422  -2.620   0.561  1.00  0.00           N1+
HETATM   11  C   UNL     1      -8.137  -2.616   1.264  1.00  0.00           C  
HETATM   12  C   UNL     1      -7.138  -1.748   0.496  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.795  -1.745   1.230  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.812  -0.889   0.474  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.101   0.154   0.964  1.00  0.00           C  
HETATM   16  N   UNL     1      -4.464  -1.015  -0.812  1.00  0.00           N  
HETATM   17  N   UNL     1      -3.600  -0.107  -1.100  1.00  0.00           N  
HETATM   18  N   UNL     1      -3.353   0.616  -0.064  1.00  0.00           N  
HETATM   19  C   UNL     1      -2.420   1.744  -0.008  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.039   1.289  -0.486  1.00  0.00           C  
HETATM   21  O   UNL     1      -0.540   0.278   0.391  1.00  0.00           O  
HETATM   22  O   UNL     1      -2.892   2.796  -0.853  1.00  0.00           O  
HETATM   23  C   UNL     1      -2.065   3.961  -0.851  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.680   5.025  -1.763  1.00  0.00           C  
HETATM   25  O   UNL     1      -3.932   5.450  -1.222  1.00  0.00           O  
HETATM   26  C   UNL     1      -0.669   3.595  -1.363  1.00  0.00           C  
HETATM   27  O   UNL     1       0.176   4.746  -1.308  1.00  0.00           O  
HETATM   28  C   UNL     1      -0.085   2.488  -0.481  1.00  0.00           C  
HETATM   29  O   UNL     1       1.187   2.088  -0.995  1.00  0.00           O  
HETATM   30  C   UNL     1       2.093   1.611   0.002  1.00  0.00           C  
HETATM   31  C   UNL     1       3.369   1.099  -0.671  1.00  0.00           C  
HETATM   32  O   UNL     1       3.050  -0.004  -1.522  1.00  0.00           O  
HETATM   33  O   UNL     1       2.422   2.677   0.896  1.00  0.00           O  
HETATM   34  O   UNL     1       2.349   3.886   3.502  1.00  0.00           O  
HETATM   35  O   UNL     1       5.499   1.384   2.409  1.00  0.00           O  
HETATM   36  O   UNL     1       5.581   0.234  -0.210  1.00  0.00           O  
HETATM   37  C   UNL     1       5.621  -1.152  -0.553  1.00  0.00           C  
HETATM   38  O   UNL     1       5.576  -1.940   0.638  1.00  0.00           O  
HETATM   39  C   UNL     1       5.585  -3.350   0.406  1.00  0.00           C  
HETATM   40  C   UNL     1       5.505  -4.088   1.744  1.00  0.00           C  
HETATM   41  O   UNL     1       4.247  -3.815   2.365  1.00  0.00           O  
HETATM   42  C   UNL     1       6.878  -3.739  -0.315  1.00  0.00           C  
HETATM   43  O   UNL     1       6.863  -5.139  -0.600  1.00  0.00           O  
HETATM   44  C   UNL     1       6.979  -2.951  -1.625  1.00  0.00           C  
HETATM   45  O   UNL     1       8.218  -3.253  -2.270  1.00  0.00           O  
HETATM   46  C   UNL     1       6.915  -1.453  -1.314  1.00  0.00           C  
HETATM   47  O   UNL     1       6.936  -0.710  -2.534  1.00  0.00           O  
HETATM   48  H   UNL     1       5.104   2.629   0.807  1.00  0.00           H  
HETATM   49  H   UNL     1       2.856   1.497   2.536  1.00  0.00           H  
HETATM   50  H   UNL     1       4.310   3.244   3.609  1.00  0.00           H  
HETATM   51  H   UNL     1       3.934   4.338   2.257  1.00  0.00           H  
HETATM   52  H   UNL     1       3.933  -0.187   0.966  1.00  0.00           H  
HETATM   53  H   UNL     1      -8.892  -4.278  -0.571  1.00  0.00           H  
HETATM   54  H   UNL     1     -11.036  -4.337  -1.781  1.00  0.00           H  
HETATM   55  H   UNL     1     -12.774  -2.638  -1.258  1.00  0.00           H  
HETATM   56  H   UNL     1     -12.280  -0.926   0.477  1.00  0.00           H  
HETATM   57  H   UNL     1     -10.097  -0.964   1.618  1.00  0.00           H  
HETATM   58  H   UNL     1      -8.272  -2.213   2.267  1.00  0.00           H  
HETATM   59  H   UNL     1      -7.756  -3.636   1.330  1.00  0.00           H  
HETATM   60  H   UNL     1      -7.002  -2.151  -0.507  1.00  0.00           H  
HETATM   61  H   UNL     1      -7.518  -0.729   0.430  1.00  0.00           H  
HETATM   62  H   UNL     1      -5.931  -1.342   2.234  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.415  -2.764   1.296  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.126   0.539   1.972  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.349   2.106   1.018  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.117   0.890  -1.497  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.098  -0.510   0.441  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.989   4.352   0.163  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.006   5.878  -1.832  1.00  0.00           H  
HETATM   70  H   UNL     1      -2.838   4.604  -2.757  1.00  0.00           H  
HETATM   71  H   UNL     1      -4.380   6.125  -1.750  1.00  0.00           H  
HETATM   72  H   UNL     1      -0.740   3.243  -2.392  1.00  0.00           H  
HETATM   73  H   UNL     1      -0.136   5.489  -1.841  1.00  0.00           H  
HETATM   74  H   UNL     1       0.032   2.856   0.538  1.00  0.00           H  
HETATM   75  H   UNL     1       1.626   0.800   0.560  1.00  0.00           H  
HETATM   76  H   UNL     1       3.815   1.899  -1.262  1.00  0.00           H  
HETATM   77  H   UNL     1       2.427   0.211  -2.229  1.00  0.00           H  
HETATM   78  H   UNL     1       2.438   4.647   4.093  1.00  0.00           H  
HETATM   79  H   UNL     1       5.711   2.075   3.052  1.00  0.00           H  
HETATM   80  H   UNL     1       4.765  -1.396  -1.182  1.00  0.00           H  
HETATM   81  H   UNL     1       4.728  -3.622  -0.210  1.00  0.00           H  
HETATM   82  H   UNL     1       5.602  -5.160   1.574  1.00  0.00           H  
HETATM   83  H   UNL     1       6.312  -3.749   2.394  1.00  0.00           H  
HETATM   84  H   UNL     1       4.128  -4.251   3.220  1.00  0.00           H  
HETATM   85  H   UNL     1       7.733  -3.504   0.318  1.00  0.00           H  
HETATM   86  H   UNL     1       7.654  -5.456  -1.058  1.00  0.00           H  
HETATM   87  H   UNL     1       6.151  -3.224  -2.280  1.00  0.00           H  
HETATM   88  H   UNL     1       8.349  -2.788  -3.108  1.00  0.00           H  
HETATM   89  H   UNL     1       7.771  -1.172  -0.700  1.00  0.00           H  
HETATM   90  H   UNL     1       6.893   0.249  -2.412  1.00  0.00           H  
CONECT    1    4   35    2   48                                       
CONECT    2    1   33    3   49                                       
CONECT    3    2   34   50   51                                       
CONECT    4   36   31    1   52                                       
CONECT    5    6    6   10   53                                       
CONECT    6    7    5    5   54                                       
CONECT    7    8    8    6   55                                       
CONECT    8    7    7    9   56                                       
CONECT    9    8   10   10   57                                       
CONECT   10    9    9    5   11                                       
CONECT   11   10   12   58   59                                       
CONECT   12   11   13   60   61                                       
CONECT   13   12   14   62   63                                       
CONECT   14   13   16   15   15                                       
CONECT   15   14   14   18   64                                       
CONECT   16   14   17   17                                            
CONECT   17   16   16   18                                            
CONECT   18   15   17   19                                            
CONECT   19   18   20   22   65                                       
CONECT   20   21   19   28   66                                       
CONECT   21   20   67                                                 
CONECT   22   19   23                                                 
CONECT   23   22   26   24   68                                       
CONECT   24   23   25   69   70                                       
CONECT   25   24   71                                                 
CONECT   26   28   23   27   72                                       
CONECT   27   26   73                                                 
CONECT   28   20   29   26   74                                       
CONECT   29   30   28                                                 
CONECT   30   31   29   33   75                                       
CONECT   31   32    4   30   76                                       
CONECT   32   31   77                                                 
CONECT   33   30    2                                                 
CONECT   34    3   78                                                 
CONECT   35    1   79                                                 
CONECT   36   37    4                                                 
CONECT   37   38   46   36   80                                       
CONECT   38   39   37                                                 
CONECT   39   40   42   38   81                                       
CONECT   40   41   39   82   83                                       
CONECT   41   40   84                                                 
CONECT   42   43   39   44   85                                       
CONECT   43   42   86                                                 
CONECT   44   42   45   46   87                                       
CONECT   45   44   88                                                 
CONECT   46   44   37   47   89                                       
CONECT   47   46   90                                                 
CONECT   48    1                                                      
CONECT   49    2                                                      
CONECT   50    3                                                      
CONECT   51    3                                                      
CONECT   52    4                                                      
CONECT   53    5                                                      
CONECT   54    6                                                      
CONECT   55    7                                                      
CONECT   56    8                                                      
CONECT   57    9                                                      
CONECT   58   11                                                      
CONECT   59   11                                                      
CONECT   60   12                                                      
CONECT   61   12                                                      
CONECT   62   13                                                      
CONECT   63   13                                                      
CONECT   64   15                                                      
CONECT   65   19                                                      
CONECT   66   20                                                      
CONECT   67   21                                                      
CONECT   68   23                                                      
CONECT   69   24                                                      
CONECT   70   24                                                      
CONECT   71   25                                                      
CONECT   72   26                                                      
CONECT   73   27                                                      
CONECT   74   28                                                      
CONECT   75   30                                                      
CONECT   76   31                                                      
CONECT   77   32                                                      
CONECT   78   34                                                      
CONECT   79   35                                                      
CONECT   80   37                                                      
CONECT   81   39                                                      
CONECT   82   40                                                      
CONECT   83   40                                                      
CONECT   84   41                                                      
CONECT   85   42                                                      
CONECT   86   43                                                      
CONECT   87   44                                                      
CONECT   88   45                                                      
CONECT   89   46                                                      
CONECT   90   47                                                      
MASTER        0    0    0    0    0    0    0    0   90    0   90    0
END
