COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.919   0.501  -0.051  1.00  0.00           C  
HETATM    2  C   UNL     1      -7.751  -0.608  -0.165  1.00  0.00           C  
HETATM    3  C   UNL     1      -9.087  -0.430  -0.470  1.00  0.00           C  
HETATM    4  C   UNL     1      -9.993  -1.627  -0.603  1.00  0.00           C  
HETATM    5  C   UNL     1      -9.595   0.845  -0.655  1.00  0.00           C  
HETATM    6  C   UNL     1      -8.776   1.951  -0.540  1.00  0.00           C  
HETATM    7  C   UNL     1      -7.430   1.791  -0.237  1.00  0.00           C  
HETATM    8  N   UNL     1      -6.597   2.897  -0.130  1.00  0.00           N  
HETATM    9  C   UNL     1      -7.452   4.034   0.238  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.670   2.693   0.981  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.870   1.430   0.796  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.484   0.347   0.294  1.00  0.00           C  
HETATM   13  N   UNL     1      -4.808  -0.858   0.101  1.00  0.00           N  
HETATM   14  C   UNL     1      -3.389  -0.966   0.449  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.047  -2.427   0.746  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.565  -2.540   1.110  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.538  -0.470  -0.721  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.056  -0.583  -0.357  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.713  -2.044  -0.061  1.00  0.00           C  
HETATM   20  C   UNL     1       0.746  -2.155   0.298  1.00  0.00           C  
HETATM   21  O   UNL     1       1.073  -2.588   1.383  1.00  0.00           O  
HETATM   22  N   UNL     1       1.688  -1.773  -0.587  1.00  0.00           N  
HETATM   23  C   UNL     1       3.107  -1.880  -0.239  1.00  0.00           C  
HETATM   24  C   UNL     1       3.939  -1.999  -1.517  1.00  0.00           C  
HETATM   25  C   UNL     1       5.421  -2.112  -1.154  1.00  0.00           C  
HETATM   26  C   UNL     1       3.538  -0.634   0.536  1.00  0.00           C  
HETATM   27  C   UNL     1       5.020  -0.746   0.900  1.00  0.00           C  
HETATM   28  C   UNL     1       5.852  -0.865  -0.379  1.00  0.00           C  
HETATM   29  N   UNL     1       7.274  -0.973  -0.030  1.00  0.00           N  
HETATM   30  C   UNL     1       7.773   0.399   0.138  1.00  0.00           C  
HETATM   31  C   UNL     1       8.990   0.392   1.068  1.00  0.00           C  
HETATM   32  C   UNL     1       9.572   1.805   1.146  1.00  0.00           C  
HETATM   33  N   UNL     1      10.012   2.234  -0.186  1.00  0.00           N  
HETATM   34  C   UNL     1      10.549   3.593  -0.035  1.00  0.00           C  
HETATM   35  C   UNL     1       8.815   2.345  -1.027  1.00  0.00           C  
HETATM   36  C   UNL     1       8.192   0.962  -1.224  1.00  0.00           C  
HETATM   37  H   UNL     1      -7.355  -1.602  -0.019  1.00  0.00           H  
HETATM   38  H   UNL     1      -9.990  -1.972  -1.637  1.00  0.00           H  
HETATM   39  H   UNL     1      -9.638  -2.426   0.048  1.00  0.00           H  
HETATM   40  H   UNL     1     -11.007  -1.348  -0.316  1.00  0.00           H  
HETATM   41  H   UNL     1     -10.640   0.975  -0.890  1.00  0.00           H  
HETATM   42  H   UNL     1      -9.183   2.941  -0.685  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.827   4.888   0.501  1.00  0.00           H  
HETATM   44  H   UNL     1      -8.089   4.297  -0.606  1.00  0.00           H  
HETATM   45  H   UNL     1      -8.073   3.762   1.091  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.989   3.542   1.039  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.235   2.625   1.911  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.823   1.397   1.063  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.278  -1.625  -0.264  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.185  -0.359   1.331  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.653  -2.781   1.580  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.252  -3.035  -0.135  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.360  -1.932   1.991  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.321  -3.581   1.321  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.782   0.571  -0.933  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.743  -1.078  -1.603  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.449  -0.229  -1.191  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.851   0.025   0.524  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.918  -2.652  -0.942  1.00  0.00           H  
HETATM   60  H   UNL     1       1.427  -1.426  -1.455  1.00  0.00           H  
HETATM   61  H   UNL     1       3.263  -2.764   0.380  1.00  0.00           H  
HETATM   62  H   UNL     1       3.632  -2.887  -2.069  1.00  0.00           H  
HETATM   63  H   UNL     1       3.783  -1.115  -2.136  1.00  0.00           H  
HETATM   64  H   UNL     1       5.577  -2.996  -0.535  1.00  0.00           H  
HETATM   65  H   UNL     1       6.013  -2.196  -2.065  1.00  0.00           H  
HETATM   66  H   UNL     1       2.946  -0.549   1.447  1.00  0.00           H  
HETATM   67  H   UNL     1       3.382   0.250  -0.082  1.00  0.00           H  
HETATM   68  H   UNL     1       5.327   0.142   1.452  1.00  0.00           H  
HETATM   69  H   UNL     1       5.176  -1.630   1.518  1.00  0.00           H  
HETATM   70  H   UNL     1       5.695   0.019  -0.997  1.00  0.00           H  
HETATM   71  H   UNL     1       7.743  -1.355  -0.837  1.00  0.00           H  
HETATM   72  H   UNL     1       6.990   1.024   0.566  1.00  0.00           H  
HETATM   73  H   UNL     1       8.686   0.068   2.063  1.00  0.00           H  
HETATM   74  H   UNL     1       9.744  -0.291   0.676  1.00  0.00           H  
HETATM   75  H   UNL     1       8.809   2.491   1.514  1.00  0.00           H  
HETATM   76  H   UNL     1      10.422   1.810   1.828  1.00  0.00           H  
HETATM   77  H   UNL     1      11.386   3.578   0.663  1.00  0.00           H  
HETATM   78  H   UNL     1      10.891   3.958  -1.004  1.00  0.00           H  
HETATM   79  H   UNL     1       9.769   4.252   0.347  1.00  0.00           H  
HETATM   80  H   UNL     1       9.090   2.760  -1.996  1.00  0.00           H  
HETATM   81  H   UNL     1       8.093   3.003  -0.544  1.00  0.00           H  
HETATM   82  H   UNL     1       7.316   1.046  -1.868  1.00  0.00           H  
HETATM   83  H   UNL     1       8.922   0.296  -1.685  1.00  0.00           H  
CONECT    1    2    7    7   12                                       
CONECT    2    1    3    3   37                                       
CONECT    3    2    2    4    5                                       
CONECT    4    3   38   39   40                                       
CONECT    5    3    6    6   41                                       
CONECT    6    5    5    7   42                                       
CONECT    7    1    1    6    8                                       
CONECT    8    7    9   10                                            
CONECT    9    8   43   44   45                                       
CONECT   10    8   11   46   47                                       
CONECT   11   10   12   12   48                                       
CONECT   12    1   11   11   13                                       
CONECT   13   12   14   49                                            
CONECT   14   13   15   17   50                                       
CONECT   15   14   16   51   52                                       
CONECT   16   15   19   53   54                                       
CONECT   17   14   18   55   56                                       
CONECT   18   17   19   57   58                                       
CONECT   19   16   18   20   59                                       
CONECT   20   19   21   21   22                                       
CONECT   21   20   20                                                 
CONECT   22   20   23   60                                            
CONECT   23   22   24   26   61                                       
CONECT   24   23   25   62   63                                       
CONECT   25   24   28   64   65                                       
CONECT   26   23   27   66   67                                       
CONECT   27   26   28   68   69                                       
CONECT   28   25   27   29   70                                       
CONECT   29   28   30   71                                            
CONECT   30   29   31   36   72                                       
CONECT   31   30   32   73   74                                       
CONECT   32   31   33   75   76                                       
CONECT   33   32   34   35                                            
CONECT   34   33   77   78   79                                       
CONECT   35   33   36   80   81                                       
CONECT   36   30   35   82   83                                       
CONECT   37    2                                                      
CONECT   38    4                                                      
CONECT   39    4                                                      
CONECT   40    4                                                      
CONECT   41    5                                                      
CONECT   42    6                                                      
CONECT   43    9                                                      
CONECT   44    9                                                      
CONECT   45    9                                                      
CONECT   46   10                                                      
CONECT   47   10                                                      
CONECT   48   11                                                      
CONECT   49   13                                                      
CONECT   50   14                                                      
CONECT   51   15                                                      
CONECT   52   15                                                      
CONECT   53   16                                                      
CONECT   54   16                                                      
CONECT   55   17                                                      
CONECT   56   17                                                      
CONECT   57   18                                                      
CONECT   58   18                                                      
CONECT   59   19                                                      
CONECT   60   22                                                      
CONECT   61   23                                                      
CONECT   62   24                                                      
CONECT   63   24                                                      
CONECT   64   25                                                      
CONECT   65   25                                                      
CONECT   66   26                                                      
CONECT   67   26                                                      
CONECT   68   27                                                      
CONECT   69   27                                                      
CONECT   70   28                                                      
CONECT   71   29                                                      
CONECT   72   30                                                      
CONECT   73   31                                                      
CONECT   74   31                                                      
CONECT   75   32                                                      
CONECT   76   32                                                      
CONECT   77   34                                                      
CONECT   78   34                                                      
CONECT   79   34                                                      
CONECT   80   35                                                      
CONECT   81   35                                                      
CONECT   82   36                                                      
CONECT   83   36                                                      
MASTER        0    0    0    0    0    0    0    0   83    0   83    0
END
