COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.738   0.250   0.610  1.00  0.00           C  
HETATM    2  O   UNL     1       5.097  -0.130  -0.487  1.00  0.00           O  
HETATM    3  O   UNL     1       5.642   0.727   1.487  1.00  0.00           O  
HETATM    4  C   UNL     1       7.028   0.752   1.056  1.00  0.00           C  
HETATM    5  C   UNL     1       7.900   1.321   2.176  1.00  0.00           C  
HETATM    6  C   UNL     1       7.485  -0.671   0.726  1.00  0.00           C  
HETATM    7  C   UNL     1       7.159   1.631  -0.189  1.00  0.00           C  
HETATM    8  N   UNL     1       3.434   0.200   0.948  1.00  0.00           N  
HETATM    9  C   UNL     1       2.450  -0.319  -0.006  1.00  0.00           C  
HETATM   10  C   UNL     1       2.387  -1.844   0.105  1.00  0.00           C  
HETATM   11  C   UNL     1       1.373  -2.387  -0.904  1.00  0.00           C  
HETATM   12  C   UNL     1       3.767  -2.434  -0.191  1.00  0.00           C  
HETATM   13  C   UNL     1       1.310  -3.912  -0.793  1.00  0.00           C  
HETATM   14  C   UNL     1       3.704  -3.959  -0.079  1.00  0.00           C  
HETATM   15  C   UNL     1       2.690  -4.502  -1.088  1.00  0.00           C  
HETATM   16  C   UNL     1       1.095   0.264   0.303  1.00  0.00           C  
HETATM   17  O   UNL     1       0.787   0.507   1.451  1.00  0.00           O  
HETATM   18  N   UNL     1       0.226   0.514  -0.696  1.00  0.00           N  
HETATM   19  C   UNL     1       0.398   0.192  -2.130  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.095   1.160  -0.583  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.399   1.814  -1.942  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.198   1.424  -2.853  1.00  0.00           C  
HETATM   23  O   UNL     1       0.394   2.662  -2.413  1.00  0.00           O  
HETATM   24  C   UNL     1      -0.879   3.257  -2.056  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.522   4.057  -3.191  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.862   4.014  -0.726  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.145   0.127  -0.264  1.00  0.00           C  
HETATM   28  O   UNL     1      -1.922  -1.047  -0.468  1.00  0.00           O  
HETATM   29  N   UNL     1      -3.333   0.509   0.247  1.00  0.00           N  
HETATM   30  C   UNL     1      -4.354  -0.495   0.556  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.288   0.045   1.640  1.00  0.00           C  
HETATM   32  C   UNL     1      -4.503   0.238   2.940  1.00  0.00           C  
HETATM   33  C   UNL     1      -5.379   0.664   4.130  1.00  0.00           C  
HETATM   34  C   UNL     1      -3.823   1.613   3.049  1.00  0.00           C  
HETATM   35  C   UNL     1      -4.235   1.611   4.531  1.00  0.00           C  
HETATM   36  O   UNL     1      -5.085  -0.065  -1.642  1.00  0.00           O  
HETATM   37  C   UNL     1      -5.150  -0.802  -0.686  1.00  0.00           C  
HETATM   38  O   UNL     1      -6.082  -2.753   0.224  1.00  0.00           O  
HETATM   39  N   UNL     1      -6.729  -2.287  -1.847  1.00  0.00           N  
HETATM   40  C   UNL     1      -6.017  -2.013  -0.736  1.00  0.00           C  
HETATM   41  H   UNL     1       7.807   0.695   3.063  1.00  0.00           H  
HETATM   42  H   UNL     1       8.941   1.340   1.853  1.00  0.00           H  
HETATM   43  H   UNL     1       7.575   2.335   2.411  1.00  0.00           H  
HETATM   44  H   UNL     1       6.864  -1.076  -0.072  1.00  0.00           H  
HETATM   45  H   UNL     1       8.526  -0.652   0.403  1.00  0.00           H  
HETATM   46  H   UNL     1       7.392  -1.297   1.613  1.00  0.00           H  
HETATM   47  H   UNL     1       6.834   2.644   0.045  1.00  0.00           H  
HETATM   48  H   UNL     1       8.200   1.650  -0.513  1.00  0.00           H  
HETATM   49  H   UNL     1       6.538   1.225  -0.988  1.00  0.00           H  
HETATM   50  H   UNL     1       3.147   0.507   1.822  1.00  0.00           H  
HETATM   51  H   UNL     1       2.743  -0.040  -1.018  1.00  0.00           H  
HETATM   52  H   UNL     1       2.081  -2.122   1.113  1.00  0.00           H  
HETATM   53  H   UNL     1       0.390  -1.966  -0.693  1.00  0.00           H  
HETATM   54  H   UNL     1       1.679  -2.109  -1.912  1.00  0.00           H  
HETATM   55  H   UNL     1       4.073  -2.156  -1.199  1.00  0.00           H  
HETATM   56  H   UNL     1       4.489  -2.047   0.528  1.00  0.00           H  
HETATM   57  H   UNL     1       1.004  -4.190   0.216  1.00  0.00           H  
HETATM   58  H   UNL     1       0.587  -4.299  -1.511  1.00  0.00           H  
HETATM   59  H   UNL     1       4.687  -4.380  -0.290  1.00  0.00           H  
HETATM   60  H   UNL     1       3.398  -4.237   0.929  1.00  0.00           H  
HETATM   61  H   UNL     1       2.645  -5.588  -1.009  1.00  0.00           H  
HETATM   62  H   UNL     1       2.996  -4.224  -2.097  1.00  0.00           H  
HETATM   63  H   UNL     1       1.455   0.079  -2.374  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.155  -0.710  -2.390  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.072   1.918   0.200  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.395   1.615  -2.337  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.386   1.306  -3.921  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.599   4.112  -3.032  1.00  0.00           H  
HETATM   69  H   UNL     1      -1.105   5.064  -3.208  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.320   3.564  -4.142  1.00  0.00           H  
HETATM   71  H   UNL     1      -0.215   3.492  -0.020  1.00  0.00           H  
HETATM   72  H   UNL     1      -0.483   5.023  -0.887  1.00  0.00           H  
HETATM   73  H   UNL     1      -1.873   4.065  -0.324  1.00  0.00           H  
HETATM   74  H   UNL     1      -3.511   1.448   0.409  1.00  0.00           H  
HETATM   75  H   UNL     1      -3.872  -1.406   0.912  1.00  0.00           H  
HETATM   76  H   UNL     1      -5.702   1.001   1.320  1.00  0.00           H  
HETATM   77  H   UNL     1      -6.099  -0.664   1.808  1.00  0.00           H  
HETATM   78  H   UNL     1      -3.841  -0.598   3.162  1.00  0.00           H  
HETATM   79  H   UNL     1      -6.292   1.182   3.837  1.00  0.00           H  
HETATM   80  H   UNL     1      -5.556  -0.135   4.850  1.00  0.00           H  
HETATM   81  H   UNL     1      -2.744   1.579   2.897  1.00  0.00           H  
HETATM   82  H   UNL     1      -4.311   2.390   2.461  1.00  0.00           H  
HETATM   83  H   UNL     1      -4.578   2.582   4.890  1.00  0.00           H  
HETATM   84  H   UNL     1      -3.498   1.151   5.189  1.00  0.00           H  
HETATM   85  H   UNL     1      -6.677  -1.696  -2.614  1.00  0.00           H  
HETATM   86  H   UNL     1      -7.293  -3.076  -1.879  1.00  0.00           H  
CONECT    1    8    3    2    2                                       
CONECT    2    1    1                                                 
CONECT    3    1    4                                                 
CONECT    4    3    7    6    5                                       
CONECT    5    4   41   42   43                                       
CONECT    6    4   44   45   46                                       
CONECT    7    4   47   48   49                                       
CONECT    8    1    9   50                                            
CONECT    9    8   10   16   51                                       
CONECT   10    9   12   11   52                                       
CONECT   11   10   13   53   54                                       
CONECT   12   10   14   55   56                                       
CONECT   13   11   15   57   58                                       
CONECT   14   12   15   59   60                                       
CONECT   15   13   14   61   62                                       
CONECT   16    9   17   17   18                                       
CONECT   17   16   16                                                 
CONECT   18   16   19   20                                            
CONECT   19   18   22   63   64                                       
CONECT   20   18   27   21   65                                       
CONECT   21   20   22   24   66                                       
CONECT   22   19   21   23   67                                       
CONECT   23   22   24                                                 
CONECT   24   21   23   26   25                                       
CONECT   25   24   68   69   70                                       
CONECT   26   24   71   72   73                                       
CONECT   27   20   28   28   29                                       
CONECT   28   27   27                                                 
CONECT   29   27   30   74                                            
CONECT   30   29   31   37   75                                       
CONECT   31   30   32   76   77                                       
CONECT   32   31   33   34   78                                       
CONECT   33   32   35   79   80                                       
CONECT   34   32   35   81   82                                       
CONECT   35   33   34   83   84                                       
CONECT   36   37   37                                                 
CONECT   37   30   36   36   40                                       
CONECT   38   40   40                                                 
CONECT   39   40   85   86                                            
CONECT   40   37   38   38   39                                       
CONECT   41    5                                                      
CONECT   42    5                                                      
CONECT   43    5                                                      
CONECT   44    6                                                      
CONECT   45    6                                                      
CONECT   46    6                                                      
CONECT   47    7                                                      
CONECT   48    7                                                      
CONECT   49    7                                                      
CONECT   50    8                                                      
CONECT   51    9                                                      
CONECT   52   10                                                      
CONECT   53   11                                                      
CONECT   54   11                                                      
CONECT   55   12                                                      
CONECT   56   12                                                      
CONECT   57   13                                                      
CONECT   58   13                                                      
CONECT   59   14                                                      
CONECT   60   14                                                      
CONECT   61   15                                                      
CONECT   62   15                                                      
CONECT   63   19                                                      
CONECT   64   19                                                      
CONECT   65   20                                                      
CONECT   66   21                                                      
CONECT   67   22                                                      
CONECT   68   25                                                      
CONECT   69   25                                                      
CONECT   70   25                                                      
CONECT   71   26                                                      
CONECT   72   26                                                      
CONECT   73   26                                                      
CONECT   74   29                                                      
CONECT   75   30                                                      
CONECT   76   31                                                      
CONECT   77   31                                                      
CONECT   78   32                                                      
CONECT   79   33                                                      
CONECT   80   33                                                      
CONECT   81   34                                                      
CONECT   82   34                                                      
CONECT   83   35                                                      
CONECT   84   35                                                      
CONECT   85   39                                                      
CONECT   86   39                                                      
MASTER        0    0    0    0    0    0    0    0   86    0   86    0
END
