COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -7.032  -0.961  -0.836  1.00  0.00           C  
HETATM    2  C   UNL     1      -8.265  -0.316  -1.032  1.00  0.00           C  
HETATM    3  C   UNL     1      -8.860  -0.252  -2.304  1.00  0.00           C  
HETATM    4  C   UNL     1     -10.055   0.380  -2.456  1.00  0.00           C  
HETATM    5  C   UNL     1     -10.700   0.968  -1.369  1.00  0.00           C  
HETATM    6  C   UNL     1     -10.154   0.926  -0.124  1.00  0.00           C  
HETATM    7  C   UNL     1      -8.921   0.280   0.073  1.00  0.00           C  
HETATM    8  C   UNL     1      -8.326   0.216   1.344  1.00  0.00           C  
HETATM    9  C   UNL     1      -7.131  -0.417   1.497  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.485  -1.004   0.411  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.166  -1.702   0.619  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.024  -0.703   0.427  1.00  0.00           C  
HETATM   13  N   UNL     1      -2.742  -1.382   0.630  1.00  0.00           N  
HETATM   14  C   UNL     1      -1.559  -0.676   0.507  1.00  0.00           C  
HETATM   15  N   UNL     1      -0.416  -1.314   0.696  1.00  0.00           N  
HETATM   16  N   UNL     1      -1.615   0.615   0.200  1.00  0.00           N  
HETATM   17  C   UNL     1      -0.508   1.336   0.071  1.00  0.00           C  
HETATM   18  N   UNL     1      -0.573   2.677  -0.248  1.00  0.00           N  
HETATM   19  C   UNL     1      -1.967   3.115  -0.403  1.00  0.00           C  
HETATM   20  C   UNL     1       0.126   3.491   0.755  1.00  0.00           C  
HETATM   21  C   UNL     1       0.736   0.701   0.268  1.00  0.00           C  
HETATM   22  C   UNL     1       2.078   1.127   0.217  1.00  0.00           C  
HETATM   23  C   UNL     1       0.746  -0.673   0.587  1.00  0.00           C  
HETATM   24  N   UNL     1       2.052  -1.052   0.721  1.00  0.00           N  
HETATM   25  C   UNL     1       2.519  -2.401   1.050  1.00  0.00           C  
HETATM   26  C   UNL     1       2.773  -3.182  -0.240  1.00  0.00           C  
HETATM   27  C   UNL     1       3.158  -4.600   0.098  1.00  0.00           C  
HETATM   28  O   UNL     1       3.130  -4.977   1.250  1.00  0.00           O  
HETATM   29  N   UNL     1       3.534  -5.447  -0.880  1.00  0.00           N  
HETATM   30  C   UNL     1       2.863   0.051   0.501  1.00  0.00           C  
HETATM   31  C   UNL     1       4.329   0.055   0.553  1.00  0.00           C  
HETATM   32  O   UNL     1       4.925  -0.921   0.968  1.00  0.00           O  
HETATM   33  N   UNL     1       5.015   1.139   0.141  1.00  0.00           N  
HETATM   34  C   UNL     1       4.296   2.312  -0.365  1.00  0.00           C  
HETATM   35  C   UNL     1       3.772   3.118   0.795  1.00  0.00           C  
HETATM   36  O   UNL     1       3.890   2.699   1.928  1.00  0.00           O  
HETATM   37  N   UNL     1       3.172   4.304   0.575  1.00  0.00           N  
HETATM   38  C   UNL     1       6.478   1.145   0.198  1.00  0.00           C  
HETATM   39  C   UNL     1       7.042   0.605  -1.118  1.00  0.00           C  
HETATM   40  C   UNL     1       8.571   0.612  -1.058  1.00  0.00           C  
HETATM   41  C   UNL     1       9.135   0.071  -2.374  1.00  0.00           C  
HETATM   42  N   UNL     1      10.603   0.078  -2.317  1.00  0.00           N  
HETATM   43  H   UNL     1      -6.523  -1.424  -1.668  1.00  0.00           H  
HETATM   44  H   UNL     1      -8.371  -0.702  -3.155  1.00  0.00           H  
HETATM   45  H   UNL     1     -10.511   0.428  -3.434  1.00  0.00           H  
HETATM   46  H   UNL     1     -11.648   1.464  -1.518  1.00  0.00           H  
HETATM   47  H   UNL     1     -10.665   1.386   0.709  1.00  0.00           H  
HETATM   48  H   UNL     1      -8.814   0.666   2.196  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.675  -0.465   2.476  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.127  -2.110   1.629  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.066  -2.512  -0.104  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.064  -0.295  -0.583  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.125   0.107   1.150  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.723  -2.326   0.850  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.505   2.951   0.531  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.989   4.175  -0.654  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.440   2.542  -1.200  1.00  0.00           H  
HETATM   58  H   UNL     1       1.174   3.193   0.800  1.00  0.00           H  
HETATM   59  H   UNL     1       0.060   4.544   0.480  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.336   3.341   1.731  1.00  0.00           H  
HETATM   61  H   UNL     1       2.422   2.126  -0.007  1.00  0.00           H  
HETATM   62  H   UNL     1       3.443  -2.336   1.624  1.00  0.00           H  
HETATM   63  H   UNL     1       1.760  -2.914   1.642  1.00  0.00           H  
HETATM   64  H   UNL     1       1.867  -3.187  -0.847  1.00  0.00           H  
HETATM   65  H   UNL     1       3.581  -2.710  -0.798  1.00  0.00           H  
HETATM   66  H   UNL     1       3.487  -5.169  -1.808  1.00  0.00           H  
HETATM   67  H   UNL     1       3.853  -6.336  -0.655  1.00  0.00           H  
HETATM   68  H   UNL     1       4.975   2.926  -0.957  1.00  0.00           H  
HETATM   69  H   UNL     1       3.463   1.987  -0.988  1.00  0.00           H  
HETATM   70  H   UNL     1       3.004   4.602  -0.333  1.00  0.00           H  
HETATM   71  H   UNL     1       2.908   4.861   1.324  1.00  0.00           H  
HETATM   72  H   UNL     1       6.832   2.165   0.353  1.00  0.00           H  
HETATM   73  H   UNL     1       6.812   0.515   1.022  1.00  0.00           H  
HETATM   74  H   UNL     1       6.689  -0.414  -1.273  1.00  0.00           H  
HETATM   75  H   UNL     1       6.708   1.235  -1.942  1.00  0.00           H  
HETATM   76  H   UNL     1       8.925   1.631  -0.903  1.00  0.00           H  
HETATM   77  H   UNL     1       8.905  -0.019  -0.234  1.00  0.00           H  
HETATM   78  H   UNL     1       8.782  -0.948  -2.529  1.00  0.00           H  
HETATM   79  H   UNL     1       8.801   0.701  -3.198  1.00  0.00           H  
HETATM   80  H   UNL     1      10.936  -0.447  -1.522  1.00  0.00           H  
HETATM   81  H   UNL     1      11.000  -0.275  -3.175  1.00  0.00           H  
CONECT    1    2    2   10   43                                       
CONECT    2    3    1    1    7                                       
CONECT    3    4    4    2   44                                       
CONECT    4    3    3    5   45                                       
CONECT    5    4    6    6   46                                       
CONECT    6    5    5    7   47                                       
CONECT    7    2    6    8    8                                       
CONECT    8    7    7    9   48                                       
CONECT    9   10   10    8   49                                       
CONECT   10    1   11    9    9                                       
CONECT   11   12   10   50   51                                       
CONECT   12   13   11   52   53                                       
CONECT   13   12   14   54                                            
CONECT   14   13   15   15   16                                       
CONECT   15   14   14   23                                            
CONECT   16   14   17   17                                            
CONECT   17   16   16   21   18                                       
CONECT   18   17   20   19                                            
CONECT   19   18   55   56   57                                       
CONECT   20   18   58   59   60                                       
CONECT   21   23   23   17   22                                       
CONECT   22   21   30   30   61                                       
CONECT   23   15   24   21   21                                       
CONECT   24   23   25   30                                            
CONECT   25   26   24   62   63                                       
CONECT   26   27   25   64   65                                       
CONECT   27   26   29   28   28                                       
CONECT   28   27   27                                                 
CONECT   29   27   66   67                                            
CONECT   30   24   22   22   31                                       
CONECT   31   30   32   32   33                                       
CONECT   32   31   31                                                 
CONECT   33   31   38   34                                            
CONECT   34   33   35   68   69                                       
CONECT   35   34   37   36   36                                       
CONECT   36   35   35                                                 
CONECT   37   35   70   71                                            
CONECT   38   33   39   72   73                                       
CONECT   39   38   40   74   75                                       
CONECT   40   39   41   76   77                                       
CONECT   41   40   42   78   79                                       
CONECT   42   41   80   81                                            
CONECT   43    1                                                      
CONECT   44    3                                                      
CONECT   45    4                                                      
CONECT   46    5                                                      
CONECT   47    6                                                      
CONECT   48    8                                                      
CONECT   49    9                                                      
CONECT   50   11                                                      
CONECT   51   11                                                      
CONECT   52   12                                                      
CONECT   53   12                                                      
CONECT   54   13                                                      
CONECT   55   19                                                      
CONECT   56   19                                                      
CONECT   57   19                                                      
CONECT   58   20                                                      
CONECT   59   20                                                      
CONECT   60   20                                                      
CONECT   61   22                                                      
CONECT   62   25                                                      
CONECT   63   25                                                      
CONECT   64   26                                                      
CONECT   65   26                                                      
CONECT   66   29                                                      
CONECT   67   29                                                      
CONECT   68   34                                                      
CONECT   69   34                                                      
CONECT   70   37                                                      
CONECT   71   37                                                      
CONECT   72   38                                                      
CONECT   73   38                                                      
CONECT   74   39                                                      
CONECT   75   39                                                      
CONECT   76   40                                                      
CONECT   77   40                                                      
CONECT   78   41                                                      
CONECT   79   41                                                      
CONECT   80   42                                                      
CONECT   81   42                                                      
MASTER        0    0    0    0    0    0    0    0   81    0   81    0
END
