COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -8.678   0.479  -0.512  1.00  0.00           N  
HETATM    2  C   UNL     1      -7.381   0.847  -0.287  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.860   0.824   1.010  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.551   1.196   1.230  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.567   1.242  -1.352  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.260   1.611  -1.116  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.753   1.592   0.171  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.323   1.997   0.421  1.00  0.00           C  
HETATM    9  N   UNL     1      -2.456   0.821   0.317  1.00  0.00           N  
HETATM   10  C   UNL     1      -1.127   0.945   0.503  1.00  0.00           C  
HETATM   11  O   UNL     1      -0.649   2.030   0.756  1.00  0.00           O  
HETATM   12  C   UNL     1      -0.235  -0.266   0.396  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.659  -1.305   1.436  1.00  0.00           C  
HETATM   14  N   UNL     1       1.154   0.129   0.638  1.00  0.00           N  
HETATM   15  C   UNL     1       2.162  -0.605   0.126  1.00  0.00           C  
HETATM   16  O   UNL     1       1.918  -1.592  -0.535  1.00  0.00           O  
HETATM   17  C   UNL     1       3.592  -0.199   0.376  1.00  0.00           C  
HETATM   18  C   UNL     1       3.830   1.202  -0.191  1.00  0.00           C  
HETATM   19  C   UNL     1       5.243   1.665   0.171  1.00  0.00           C  
HETATM   20  C   UNL     1       5.482   3.066  -0.395  1.00  0.00           C  
HETATM   21  N   UNL     1       6.835   3.509  -0.049  1.00  0.00           N  
HETATM   22  C   UNL     1       7.278   4.746  -0.453  1.00  0.00           C  
HETATM   23  N   UNL     1       8.547   5.161  -0.128  1.00  0.00           N  
HETATM   24  N   UNL     1       6.494   5.525  -1.145  1.00  0.00           N  
HETATM   25  N   UNL     1       4.491  -1.151  -0.281  1.00  0.00           N  
HETATM   26  C   UNL     1       5.747  -1.319   0.179  1.00  0.00           C  
HETATM   27  O   UNL     1       6.132  -0.683   1.137  1.00  0.00           O  
HETATM   28  C   UNL     1       6.672  -2.298  -0.497  1.00  0.00           C  
HETATM   29  C   UNL     1       6.064  -3.701  -0.434  1.00  0.00           C  
HETATM   30  N   UNL     1       7.968  -2.297   0.186  1.00  0.00           N  
HETATM   31  C   UNL     1       9.080  -2.668  -0.478  1.00  0.00           C  
HETATM   32  O   UNL     1       9.009  -3.003  -1.642  1.00  0.00           O  
HETATM   33  CA  UNL     1      10.414  -2.666   0.224  1.00  0.00           C  
HETATM   34  N   UNL     1      11.352  -3.530  -0.505  1.00  0.00           N  
HETATM   35  C   UNL     1      10.964  -1.239   0.271  1.00  0.00           C  
HETATM   36  O   UNL     1      12.170  -1.219   1.037  1.00  0.00           O  
HETATM   37  C   UNL     1     -14.781  -1.405  -0.460  1.00  0.00           C  
HETATM   38  O   UNL     1     -14.839  -2.809  -0.719  1.00  0.00           O  
HETATM   39  C   UNL     1     -13.351  -0.998  -0.211  1.00  0.00           C  
HETATM   40  C   UNL     1     -12.553  -0.602  -1.270  1.00  0.00           C  
HETATM   41  C   UNL     1     -11.244  -0.230  -1.050  1.00  0.00           C  
HETATM   42  C   UNL     1     -12.844  -1.018   1.077  1.00  0.00           C  
HETATM   43  C   UNL     1     -11.537  -0.648   1.313  1.00  0.00           C  
HETATM   44  C   UNL     1     -10.723  -0.253   0.247  1.00  0.00           C  
HETATM   45  N   UNL     1      -9.426   0.115   0.473  1.00  0.00           N  
HETATM   46  H   UNL     1      -7.482   0.516   1.838  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.147   1.179   2.232  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.962   1.258  -2.357  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.630   1.917  -1.939  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.021   2.738  -0.320  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.236   2.426   1.419  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.839  -0.047   0.114  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.323  -0.694  -0.602  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.572  -0.876   2.434  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.694  -1.598   1.256  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.014  -2.180   1.359  1.00  0.00           H  
HETATM   57  H   UNL     1       1.349   0.918   1.167  1.00  0.00           H  
HETATM   58  H   UNL     1       3.787  -0.196   1.448  1.00  0.00           H  
HETATM   59  H   UNL     1       3.722   1.179  -1.275  1.00  0.00           H  
HETATM   60  H   UNL     1       3.102   1.894   0.233  1.00  0.00           H  
HETATM   61  H   UNL     1       5.352   1.688   1.255  1.00  0.00           H  
HETATM   62  H   UNL     1       5.972   0.973  -0.252  1.00  0.00           H  
HETATM   63  H   UNL     1       5.373   3.043  -1.480  1.00  0.00           H  
HETATM   64  H   UNL     1       4.754   3.757   0.028  1.00  0.00           H  
HETATM   65  H   UNL     1       7.418   2.929   0.466  1.00  0.00           H  
HETATM   66  H   UNL     1       9.130   4.582   0.386  1.00  0.00           H  
HETATM   67  H   UNL     1       8.860   6.034  -0.414  1.00  0.00           H  
HETATM   68  H   UNL     1       5.598   5.231  -1.374  1.00  0.00           H  
HETATM   69  H   UNL     1       4.183  -1.660  -1.047  1.00  0.00           H  
HETATM   70  H   UNL     1       6.810  -2.008  -1.539  1.00  0.00           H  
HETATM   71  H   UNL     1       5.100  -3.702  -0.942  1.00  0.00           H  
HETATM   72  H   UNL     1       6.734  -4.409  -0.923  1.00  0.00           H  
HETATM   73  H   UNL     1       5.926  -3.991   0.607  1.00  0.00           H  
HETATM   74  H   UNL     1       8.026  -2.028   1.116  1.00  0.00           H  
HETATM   75  HA  UNL     1      10.289  -3.041   1.240  1.00  0.00           H  
HETATM   76  H1  UNL     1      11.485  -3.203  -1.450  1.00  0.00           H  
HETATM   77  H2  UNL     1      12.234  -3.596  -0.019  1.00  0.00           H  
HETATM   78  H1  UNL     1      11.172  -0.897  -0.743  1.00  0.00           H  
HETATM   79  H2  UNL     1      10.228  -0.581   0.733  1.00  0.00           H  
HETATM   80  H   UNL     1      12.575  -0.344   1.109  1.00  0.00           H  
HETATM   81  H   UNL     1     -15.168  -0.860  -1.321  1.00  0.00           H  
HETATM   82  H   UNL     1     -15.383  -1.172   0.418  1.00  0.00           H  
HETATM   83  H   UNL     1     -15.731  -3.141  -0.889  1.00  0.00           H  
HETATM   84  H   UNL     1     -12.957  -0.586  -2.272  1.00  0.00           H  
HETATM   85  H   UNL     1     -10.622   0.078  -1.877  1.00  0.00           H  
HETATM   86  H   UNL     1     -13.474  -1.323   1.899  1.00  0.00           H  
HETATM   87  H   UNL     1     -11.143  -0.664   2.318  1.00  0.00           H  
CONECT    1    2   45   45                                            
CONECT    2    3    1    5    5                                       
CONECT    3    4    4    2   46                                       
CONECT    4    3    3    7   47                                       
CONECT    5    2    2    6   48                                       
CONECT    6    7    7    5   49                                       
CONECT    7    4    8    6    6                                       
CONECT    8    9    7   50   51                                       
CONECT    9   10    8   52                                            
CONECT   10   12   11   11    9                                       
CONECT   11   10   10                                                 
CONECT   12   14   13   10   53                                       
CONECT   13   12   54   55   56                                       
CONECT   14   15   12   57                                            
CONECT   15   17   14   16   16                                       
CONECT   16   15   15                                                 
CONECT   17   18   25   15   58                                       
CONECT   18   19   17   59   60                                       
CONECT   19   20   18   61   62                                       
CONECT   20   21   19   63   64                                       
CONECT   21   22   20   65                                            
CONECT   22   24   24   23   21                                       
CONECT   23   22   66   67                                            
CONECT   24   22   22   68                                            
CONECT   25   17   26   69                                            
CONECT   26   25   28   27   27                                       
CONECT   27   26   26                                                 
CONECT   28   30   26   29   70                                       
CONECT   29   28   71   72   73                                       
CONECT   30   31   28   74                                            
CONECT   31   33   30   32   32                                       
CONECT   32   31   31                                                 
CONECT   33   35   34   31   75                                       
CONECT   34   33   76   77                                            
CONECT   35   36   33   78   79                                       
CONECT   36   35   80                                                 
CONECT   37   38   39   81   82                                       
CONECT   38   37   83                                                 
CONECT   39   42   37   40   40                                       
CONECT   40   39   39   41   84                                       
CONECT   41   44   44   40   85                                       
CONECT   42   43   43   39   86                                       
CONECT   43   42   42   44   87                                       
CONECT   44   43   45   41   41                                       
CONECT   45    1    1   44                                            
CONECT   46    3                                                      
CONECT   47    4                                                      
CONECT   48    5                                                      
CONECT   49    6                                                      
CONECT   50    8                                                      
CONECT   51    8                                                      
CONECT   52    9                                                      
CONECT   53   12                                                      
CONECT   54   13                                                      
CONECT   55   13                                                      
CONECT   56   13                                                      
CONECT   57   14                                                      
CONECT   58   17                                                      
CONECT   59   18                                                      
CONECT   60   18                                                      
CONECT   61   19                                                      
CONECT   62   19                                                      
CONECT   63   20                                                      
CONECT   64   20                                                      
CONECT   65   21                                                      
CONECT   66   23                                                      
CONECT   67   23                                                      
CONECT   68   24                                                      
CONECT   69   25                                                      
CONECT   70   28                                                      
CONECT   71   29                                                      
CONECT   72   29                                                      
CONECT   73   29                                                      
CONECT   74   30                                                      
CONECT   75   33                                                      
CONECT   76   34                                                      
CONECT   77   34                                                      
CONECT   78   35                                                      
CONECT   79   35                                                      
CONECT   80   36                                                      
CONECT   81   37                                                      
CONECT   82   37                                                      
CONECT   83   38                                                      
CONECT   84   40                                                      
CONECT   85   41                                                      
CONECT   86   42                                                      
CONECT   87   43                                                      
MASTER        0    0    0    0    0    0    0    0   87    0   87    0
END
