COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.038  -0.531   0.430  1.00  0.00           C  
HETATM    2  C   UNL     1       4.775  -0.740  -0.366  1.00  0.00           C  
HETATM    3  O   UNL     1       4.829  -0.845  -1.573  1.00  0.00           O  
HETATM    4  C   UNL     1       7.238  -0.490  -0.520  1.00  0.00           C  
HETATM    5  C   UNL     1       8.520  -0.279   0.288  1.00  0.00           C  
HETATM    6  C   UNL     1       9.719  -0.238  -0.661  1.00  0.00           C  
HETATM    7  C   UNL     1      11.002  -0.026   0.146  1.00  0.00           C  
HETATM    8  N   UNL     1       3.586  -0.809   0.264  1.00  0.00           N  
HETATM    9  C   UNL     1       2.358  -1.012  -0.509  1.00  0.00           C  
HETATM   10  C   UNL     1       1.184  -0.460   0.259  1.00  0.00           C  
HETATM   11  O   UNL     1       1.357   0.052   1.345  1.00  0.00           O  
HETATM   12  C   UNL     1       2.151  -2.508  -0.753  1.00  0.00           C  
HETATM   13  C   UNL     1       2.033  -3.232   0.590  1.00  0.00           C  
HETATM   14  C   UNL     1       3.342  -3.068  -1.532  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.457  -0.705   0.052  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.237   3.707   0.483  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.106   2.231   0.758  1.00  0.00           C  
HETATM   18  N   UNL     1      -0.056  -0.536  -0.262  1.00  0.00           N  
HETATM   19  O   UNL     1      -1.214   4.131  -0.097  1.00  0.00           O  
HETATM   20  N   UNL     1       0.729   4.556   0.887  1.00  0.00           N  
HETATM   21  C   UNL     1       0.598   5.992   0.625  1.00  0.00           C  
HETATM   22  C   UNL     1       1.908   4.043   1.587  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.197   0.000   0.485  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.331   1.499   0.206  1.00  0.00           C  
HETATM   25  O   UNL     1      -2.406  -1.571  -0.796  1.00  0.00           O  
HETATM   26  N   UNL     1      -3.639  -0.374   0.607  1.00  0.00           N  
HETATM   27  O   UNL     1      -6.219   0.673   1.186  1.00  0.00           O  
HETATM   28  O   UNL     1      -4.902   1.125  -3.441  1.00  0.00           O  
HETATM   29  C   UNL     1      -4.864  -1.060   0.187  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.975  -0.031  -0.033  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.237  -3.150   1.404  1.00  0.00           C  
HETATM   32  C   UNL     1      -4.602  -4.069   2.571  1.00  0.00           C  
HETATM   33  C   UNL     1      -4.185  -3.965   0.110  1.00  0.00           C  
HETATM   34  C   UNL     1      -5.292  -2.050   1.272  1.00  0.00           C  
HETATM   35  C   UNL     1      -5.414   0.227  -2.454  1.00  0.00           C  
HETATM   36  C   UNL     1      -6.596   2.065  -1.242  1.00  0.00           C  
HETATM   37  C   UNL     1      -5.546   0.959  -1.117  1.00  0.00           C  
HETATM   38  H   UNL     1       5.974   0.411   0.974  1.00  0.00           H  
HETATM   39  H   UNL     1       6.162  -1.352   1.137  1.00  0.00           H  
HETATM   40  H   UNL     1       7.303  -1.432  -1.064  1.00  0.00           H  
HETATM   41  H   UNL     1       7.114   0.330  -1.227  1.00  0.00           H  
HETATM   42  H   UNL     1       8.455   0.664   0.832  1.00  0.00           H  
HETATM   43  H   UNL     1       8.644  -1.099   0.995  1.00  0.00           H  
HETATM   44  H   UNL     1       9.784  -1.180  -1.206  1.00  0.00           H  
HETATM   45  H   UNL     1       9.596   0.583  -1.368  1.00  0.00           H  
HETATM   46  H   UNL     1      10.937   0.916   0.691  1.00  0.00           H  
HETATM   47  H   UNL     1      11.126  -0.846   0.853  1.00  0.00           H  
HETATM   48  H   UNL     1      11.856   0.003  -0.530  1.00  0.00           H  
HETATM   49  H   UNL     1       3.543  -0.725   1.230  1.00  0.00           H  
HETATM   50  H   UNL     1       2.442  -0.496  -1.465  1.00  0.00           H  
HETATM   51  H   UNL     1       1.237  -2.659  -1.328  1.00  0.00           H  
HETATM   52  H   UNL     1       1.184  -2.833   1.145  1.00  0.00           H  
HETATM   53  H   UNL     1       1.885  -4.298   0.416  1.00  0.00           H  
HETATM   54  H   UNL     1       2.947  -3.081   1.165  1.00  0.00           H  
HETATM   55  H   UNL     1       3.194  -4.134  -1.706  1.00  0.00           H  
HETATM   56  H   UNL     1       3.426  -2.552  -2.489  1.00  0.00           H  
HETATM   57  H   UNL     1       4.256  -2.917  -0.957  1.00  0.00           H  
HETATM   58  H   UNL     1       0.794   1.850   0.274  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.038   2.066   1.833  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.194  -0.945  -1.130  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.337   6.181   0.098  1.00  0.00           H  
HETATM   62  H   UNL     1       0.600   6.535   1.570  1.00  0.00           H  
HETATM   63  H   UNL     1       1.435   6.326   0.012  1.00  0.00           H  
HETATM   64  H   UNL     1       2.683   3.796   0.862  1.00  0.00           H  
HETATM   65  H   UNL     1       2.283   4.804   2.273  1.00  0.00           H  
HETATM   66  H   UNL     1       1.638   3.149   2.149  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.041  -0.158   1.552  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.230   1.880   0.689  1.00  0.00           H  
HETATM   69  H   UNL     1      -1.398   1.663  -0.870  1.00  0.00           H  
HETATM   70  H   UNL     1      -3.680   0.318   1.286  1.00  0.00           H  
HETATM   71  H   UNL     1      -5.450   1.152   1.525  1.00  0.00           H  
HETATM   72  H   UNL     1      -4.793   0.727  -4.315  1.00  0.00           H  
HETATM   73  H   UNL     1      -4.678  -1.598  -0.743  1.00  0.00           H  
HETATM   74  H   UNL     1      -6.886  -0.541  -0.346  1.00  0.00           H  
HETATM   75  H   UNL     1      -3.263  -2.698   1.588  1.00  0.00           H  
HETATM   76  H   UNL     1      -5.577  -4.521   2.387  1.00  0.00           H  
HETATM   77  H   UNL     1      -3.851  -4.853   2.665  1.00  0.00           H  
HETATM   78  H   UNL     1      -4.639  -3.489   3.493  1.00  0.00           H  
HETATM   79  H   UNL     1      -3.434  -4.749   0.204  1.00  0.00           H  
HETATM   80  H   UNL     1      -5.160  -4.417  -0.075  1.00  0.00           H  
HETATM   81  H   UNL     1      -3.925  -3.310  -0.722  1.00  0.00           H  
HETATM   82  H   UNL     1      -5.392  -1.526   2.222  1.00  0.00           H  
HETATM   83  H   UNL     1      -6.249  -2.495   1.000  1.00  0.00           H  
HETATM   84  H   UNL     1      -4.732  -0.616  -2.341  1.00  0.00           H  
HETATM   85  H   UNL     1      -6.393  -0.137  -2.766  1.00  0.00           H  
HETATM   86  H   UNL     1      -7.537   1.635  -1.587  1.00  0.00           H  
HETATM   87  H   UNL     1      -6.747   2.535  -0.271  1.00  0.00           H  
HETATM   88  H   UNL     1      -6.254   2.812  -1.959  1.00  0.00           H  
HETATM   89  H   UNL     1      -4.586   1.400  -0.848  1.00  0.00           H  
CONECT    1    2    4   38   39                                       
CONECT    2    8    3    3    1                                       
CONECT    3    2    2                                                 
CONECT    4    1    5   40   41                                       
CONECT    5    4    6   42   43                                       
CONECT    6    5    7   44   45                                       
CONECT    7    6   46   47   48                                       
CONECT    8    9    2   49                                            
CONECT    9   10   12    8   50                                       
CONECT   10   18   11   11    9                                       
CONECT   11   10   10                                                 
CONECT   12   13    9   14   51                                       
CONECT   13   12   52   53   54                                       
CONECT   14   12   55   56   57                                       
CONECT   15   26   25   25   23                                       
CONECT   16   19   19   20   17                                       
CONECT   17   24   16   58   59                                       
CONECT   18   23   10   60                                            
CONECT   19   16   16                                                 
CONECT   20   22   16   21                                            
CONECT   21   20   61   62   63                                       
CONECT   22   20   64   65   66                                       
CONECT   23   15   24   18   67                                       
CONECT   24   23   17   68   69                                       
CONECT   25   15   15                                                 
CONECT   26   29   15   70                                            
CONECT   27   30   71                                                 
CONECT   28   35   72                                                 
CONECT   29   30   34   26   73                                       
CONECT   30   37   27   29   74                                       
CONECT   31   34   33   32   75                                       
CONECT   32   31   76   77   78                                       
CONECT   33   31   79   80   81                                       
CONECT   34   31   29   82   83                                       
CONECT   35   37   28   84   85                                       
CONECT   36   37   86   87   88                                       
CONECT   37   30   35   36   89                                       
CONECT   38    1                                                      
CONECT   39    1                                                      
CONECT   40    4                                                      
CONECT   41    4                                                      
CONECT   42    5                                                      
CONECT   43    5                                                      
CONECT   44    6                                                      
CONECT   45    6                                                      
CONECT   46    7                                                      
CONECT   47    7                                                      
CONECT   48    7                                                      
CONECT   49    8                                                      
CONECT   50    9                                                      
CONECT   51   12                                                      
CONECT   52   13                                                      
CONECT   53   13                                                      
CONECT   54   13                                                      
CONECT   55   14                                                      
CONECT   56   14                                                      
CONECT   57   14                                                      
CONECT   58   17                                                      
CONECT   59   17                                                      
CONECT   60   18                                                      
CONECT   61   21                                                      
CONECT   62   21                                                      
CONECT   63   21                                                      
CONECT   64   22                                                      
CONECT   65   22                                                      
CONECT   66   22                                                      
CONECT   67   23                                                      
CONECT   68   24                                                      
CONECT   69   24                                                      
CONECT   70   26                                                      
CONECT   71   27                                                      
CONECT   72   28                                                      
CONECT   73   29                                                      
CONECT   74   30                                                      
CONECT   75   31                                                      
CONECT   76   32                                                      
CONECT   77   32                                                      
CONECT   78   32                                                      
CONECT   79   33                                                      
CONECT   80   33                                                      
CONECT   81   33                                                      
CONECT   82   34                                                      
CONECT   83   34                                                      
CONECT   84   35                                                      
CONECT   85   35                                                      
CONECT   86   36                                                      
CONECT   87   36                                                      
CONECT   88   36                                                      
CONECT   89   37                                                      
MASTER        0    0    0    0    0    0    0    0   89    0   89    0
END
