COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.777  -1.920  -1.093  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.066  -0.871  -2.168  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.172   0.068  -1.680  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.589  -2.781  -1.526  1.00  0.00           C  
HETATM    5  C   UNL     1       0.672  -1.916  -1.586  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.568   1.059  -2.797  1.00  0.00           C  
HETATM    7  O   UNL     1       3.488  -1.326  -3.008  1.00  0.00           O  
HETATM    8  C   UNL     1       3.111  -1.945  -2.036  1.00  0.00           C  
HETATM    9  N   UNL     1       3.825  -1.908  -0.894  1.00  0.00           N  
HETATM   10  C   UNL     1       4.995  -1.032  -0.790  1.00  0.00           C  
HETATM   11  C   UNL     1       5.692  -1.268   0.552  1.00  0.00           C  
HETATM   12  C   UNL     1       6.823  -0.285   0.710  1.00  0.00           C  
HETATM   13  C   UNL     1       6.593   0.941   1.308  1.00  0.00           C  
HETATM   14  C   UNL     1       7.628   1.844   1.454  1.00  0.00           C  
HETATM   15  C   UNL     1       8.899   1.520   1.002  1.00  0.00           C  
HETATM   16  O   UNL     1       9.919   2.407   1.145  1.00  0.00           O  
HETATM   17  C   UNL     1      11.200   2.006   0.655  1.00  0.00           C  
HETATM   18  C   UNL     1       9.127   0.289   0.403  1.00  0.00           C  
HETATM   19  C   UNL     1       8.090  -0.612   0.263  1.00  0.00           C  
HETATM   20  C   UNL     1       1.842  -2.755  -2.105  1.00  0.00           C  
HETATM   21  N   UNL     1       1.585  -3.145  -3.497  1.00  0.00           N  
HETATM   22  C   UNL     1      -3.008  -2.809  -0.904  1.00  0.00           C  
HETATM   23  N   UNL     1      -2.780  -3.729   0.219  1.00  0.00           N  
HETATM   24  C   UNL     1      -3.911  -4.652   0.381  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.701  -5.493   1.614  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.264  -5.109   2.817  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.071  -5.880   3.947  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.315  -7.035   3.875  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.751  -7.419   2.673  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.949  -6.650   1.541  1.00  0.00           C  
HETATM   31  O   UNL     1      -4.746   0.609  -3.471  1.00  0.00           O  
HETATM   32  O   UNL     1      -2.687   0.900  -0.604  1.00  0.00           O  
HETATM   33  C   UNL     1      -3.583   2.032  -0.564  1.00  0.00           C  
HETATM   34  C   UNL     1      -3.845   2.380  -2.046  1.00  0.00           C  
HETATM   35  O   UNL     1      -5.202   2.787  -2.233  1.00  0.00           O  
HETATM   36  N   UNL     1      -2.949   3.161   0.121  1.00  0.00           N  
HETATM   37  C   UNL     1      -1.611   3.340   0.313  1.00  0.00           C  
HETATM   38  N   UNL     1      -1.400   4.449   0.959  1.00  0.00           N  
HETATM   39  C   UNL     1      -2.584   5.051   1.222  1.00  0.00           C  
HETATM   40  C   UNL     1      -3.592   4.235   0.682  1.00  0.00           C  
HETATM   41  C   UNL     1      -2.968   6.237   1.871  1.00  0.00           C  
HETATM   42  N   UNL     1      -2.019   7.084   2.417  1.00  0.00           N  
HETATM   43  N   UNL     1      -4.263   6.526   1.949  1.00  0.00           N  
HETATM   44  C   UNL     1      -5.175   5.724   1.431  1.00  0.00           C  
HETATM   45  N   UNL     1      -4.862   4.607   0.808  1.00  0.00           N  
HETATM   46  H   UNL     1      -1.541  -1.422  -0.153  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.162  -0.295  -2.366  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.388  -1.367  -3.083  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.040  -0.506  -1.356  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.443  -3.587  -0.808  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.786  -3.203  -2.512  1.00  0.00           H  
HETATM   52  H   UNL     1       0.504  -1.073  -2.256  1.00  0.00           H  
HETATM   53  H   UNL     1       0.906  -1.545  -0.588  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.749   1.183  -3.505  1.00  0.00           H  
HETATM   55  H   UNL     1       3.565  -2.461  -0.141  1.00  0.00           H  
HETATM   56  H   UNL     1       5.687  -1.252  -1.603  1.00  0.00           H  
HETATM   57  H   UNL     1       4.677   0.009  -0.856  1.00  0.00           H  
HETATM   58  H   UNL     1       4.976  -1.132   1.362  1.00  0.00           H  
HETATM   59  H   UNL     1       6.086  -2.284   0.582  1.00  0.00           H  
HETATM   60  H   UNL     1       5.604   1.192   1.660  1.00  0.00           H  
HETATM   61  H   UNL     1       7.448   2.801   1.920  1.00  0.00           H  
HETATM   62  H   UNL     1      11.922   2.803   0.832  1.00  0.00           H  
HETATM   63  H   UNL     1      11.522   1.103   1.175  1.00  0.00           H  
HETATM   64  H   UNL     1      11.134   1.806  -0.414  1.00  0.00           H  
HETATM   65  H   UNL     1      10.115   0.035   0.049  1.00  0.00           H  
HETATM   66  H   UNL     1       8.267  -1.572  -0.199  1.00  0.00           H  
HETATM   67  H   UNL     1       1.948  -3.649  -1.491  1.00  0.00           H  
HETATM   68  H   UNL     1       1.482  -2.333  -4.087  1.00  0.00           H  
HETATM   69  H   UNL     1       2.312  -3.753  -3.843  1.00  0.00           H  
HETATM   70  H   UNL     1      -3.877  -2.186  -0.692  1.00  0.00           H  
HETATM   71  H   UNL     1      -3.185  -3.382  -1.813  1.00  0.00           H  
HETATM   72  H   UNL     1      -1.915  -4.235   0.102  1.00  0.00           H  
HETATM   73  H   UNL     1      -4.834  -4.081   0.484  1.00  0.00           H  
HETATM   74  H   UNL     1      -3.981  -5.299  -0.493  1.00  0.00           H  
HETATM   75  H   UNL     1      -4.855  -4.207   2.873  1.00  0.00           H  
HETATM   76  H   UNL     1      -4.511  -5.581   4.887  1.00  0.00           H  
HETATM   77  H   UNL     1      -3.163  -7.637   4.759  1.00  0.00           H  
HETATM   78  H   UNL     1      -2.160  -8.321   2.616  1.00  0.00           H  
HETATM   79  H   UNL     1      -2.513  -6.952   0.600  1.00  0.00           H  
HETATM   80  H   UNL     1      -5.039   1.194  -4.182  1.00  0.00           H  
HETATM   81  H   UNL     1      -4.515   1.760  -0.068  1.00  0.00           H  
HETATM   82  H   UNL     1      -3.163   3.162  -2.381  1.00  0.00           H  
HETATM   83  H   UNL     1      -5.421   3.018  -3.146  1.00  0.00           H  
HETATM   84  H   UNL     1      -0.841   2.660  -0.021  1.00  0.00           H  
HETATM   85  H   UNL     1      -2.296   7.900   2.862  1.00  0.00           H  
HETATM   86  H   UNL     1      -1.077   6.862   2.353  1.00  0.00           H  
HETATM   87  H   UNL     1      -6.216   5.997   1.517  1.00  0.00           H  
CONECT    1    2    4   22   46                                       
CONECT    2    3    1   47   48                                       
CONECT    3   32    2    6   49                                       
CONECT    4    5    1   50   51                                       
CONECT    5   20    4   52   53                                       
CONECT    6   34    3   31   54                                       
CONECT    7    8    8                                                 
CONECT    8   20    9    7    7                                       
CONECT    9    8   10   55                                            
CONECT   10    9   11   56   57                                       
CONECT   11   10   12   58   59                                       
CONECT   12   11   19   19   13                                       
CONECT   13   12   14   14   60                                       
CONECT   14   13   13   15   61                                       
CONECT   15   18   18   14   16                                       
CONECT   16   15   17                                                 
CONECT   17   16   62   63   64                                       
CONECT   18   19   15   15   65                                       
CONECT   19   12   12   18   66                                       
CONECT   20    5   21    8   67                                       
CONECT   21   20   68   69                                            
CONECT   22    1   23   70   71                                       
CONECT   23   22   24   72                                            
CONECT   24   23   25   73   74                                       
CONECT   25   24   30   30   26                                       
CONECT   26   25   27   27   75                                       
CONECT   27   26   26   28   76                                       
CONECT   28   29   29   27   77                                       
CONECT   29   30   28   28   78                                       
CONECT   30   25   25   29   79                                       
CONECT   31    6   80                                                 
CONECT   32   33    3                                                 
CONECT   33   36   34   32   81                                       
CONECT   34   33   35    6   82                                       
CONECT   35   34   83                                                 
CONECT   36   37   40   33                                            
CONECT   37   38   38   36   84                                       
CONECT   38   39   37   37                                            
CONECT   39   41   38   40   40                                       
CONECT   40   39   39   36   45                                       
CONECT   41   42   43   43   39                                       
CONECT   42   41   85   86                                            
CONECT   43   41   41   44                                            
CONECT   44   43   45   45   87                                       
CONECT   45   44   44   40                                            
CONECT   46    1                                                      
CONECT   47    2                                                      
CONECT   48    2                                                      
CONECT   49    3                                                      
CONECT   50    4                                                      
CONECT   51    4                                                      
CONECT   52    5                                                      
CONECT   53    5                                                      
CONECT   54    6                                                      
CONECT   55    9                                                      
CONECT   56   10                                                      
CONECT   57   10                                                      
CONECT   58   11                                                      
CONECT   59   11                                                      
CONECT   60   13                                                      
CONECT   61   14                                                      
CONECT   62   17                                                      
CONECT   63   17                                                      
CONECT   64   17                                                      
CONECT   65   18                                                      
CONECT   66   19                                                      
CONECT   67   20                                                      
CONECT   68   21                                                      
CONECT   69   21                                                      
CONECT   70   22                                                      
CONECT   71   22                                                      
CONECT   72   23                                                      
CONECT   73   24                                                      
CONECT   74   24                                                      
CONECT   75   26                                                      
CONECT   76   27                                                      
CONECT   77   28                                                      
CONECT   78   29                                                      
CONECT   79   30                                                      
CONECT   80   31                                                      
CONECT   81   33                                                      
CONECT   82   34                                                      
CONECT   83   35                                                      
CONECT   84   37                                                      
CONECT   85   42                                                      
CONECT   86   42                                                      
CONECT   87   44                                                      
MASTER        0    0    0    0    0    0    0    0   87    0   87    0
END
