COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.398  -0.345   0.636  1.00  0.00           C  
HETATM    2  O   UNL     1      -4.411  -0.932   1.700  1.00  0.00           O  
HETATM    3  O   UNL     1      -5.556   0.022   0.056  1.00  0.00           O  
HETATM    4  C   UNL     1      -6.781  -0.318   0.757  1.00  0.00           C  
HETATM    5  C   UNL     1      -7.966   0.168  -0.037  1.00  0.00           C  
HETATM    6  C   UNL     1      -8.465   1.440   0.174  1.00  0.00           C  
HETATM    7  C   UNL     1      -9.552   1.886  -0.555  1.00  0.00           C  
HETATM    8  C   UNL     1     -10.139   1.060  -1.495  1.00  0.00           C  
HETATM    9  C   UNL     1      -9.640  -0.212  -1.707  1.00  0.00           C  
HETATM   10  C   UNL     1      -8.551  -0.656  -0.981  1.00  0.00           C  
HETATM   11  N   UNL     1      -3.224  -0.055   0.041  1.00  0.00           N  
HETATM   12  C   UNL     1      -1.964  -0.448   0.675  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.859   0.462   0.204  1.00  0.00           C  
HETATM   14  O   UNL     1      -1.100   1.351  -0.585  1.00  0.00           O  
HETATM   15  C   UNL     1      -1.631  -1.893   0.296  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.689  -2.830   0.882  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.428  -4.259   0.401  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.620  -2.786   2.410  1.00  0.00           C  
HETATM   19  N   UNL     1       0.398   0.287   0.658  1.00  0.00           N  
HETATM   20  C   UNL     1       1.492   1.098   0.118  1.00  0.00           C  
HETATM   21  C   UNL     1       2.782   0.326   0.208  1.00  0.00           C  
HETATM   22  O   UNL     1       2.899  -0.567   1.020  1.00  0.00           O  
HETATM   23  C   UNL     1       1.614   2.391   0.927  1.00  0.00           C  
HETATM   24  C   UNL     1       2.670   3.295   0.287  1.00  0.00           C  
HETATM   25  C   UNL     1       2.173   3.772  -1.079  1.00  0.00           C  
HETATM   26  C   UNL     1       2.921   4.505   1.189  1.00  0.00           C  
HETATM   27  C   UNL     1       5.628  -0.228  -2.005  1.00  0.00           C  
HETATM   28  C   UNL     1       5.194  -0.825  -4.392  1.00  0.00           C  
HETATM   29  C   UNL     1       6.032   0.413   0.376  1.00  0.00           C  
HETATM   30  C   UNL     1       7.056  -0.652   0.774  1.00  0.00           C  
HETATM   31  C   UNL     1       7.285  -1.768  -0.247  1.00  0.00           C  
HETATM   32  O   UNL     1       7.168  -0.983   2.160  1.00  0.00           O  
HETATM   33  C   UNL     1       8.247  -0.212   1.628  1.00  0.00           C  
HETATM   34  O   UNL     1       5.349   0.877   1.542  1.00  0.00           O  
HETATM   35  C   UNL     1       5.022  -0.192  -0.601  1.00  0.00           C  
HETATM   36  C   UNL     1       4.658  -0.923  -2.962  1.00  0.00           C  
HETATM   37  C   UNL     1       4.520  -2.395  -2.569  1.00  0.00           C  
HETATM   38  N   UNL     1       3.806   0.626  -0.615  1.00  0.00           N  
HETATM   39  H   UNL     1      -6.843  -1.400   0.877  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.782   0.157   1.738  1.00  0.00           H  
HETATM   41  H   UNL     1      -8.006   2.085   0.908  1.00  0.00           H  
HETATM   42  H   UNL     1      -9.942   2.879  -0.390  1.00  0.00           H  
HETATM   43  H   UNL     1     -10.989   1.408  -2.064  1.00  0.00           H  
HETATM   44  H   UNL     1     -10.100  -0.857  -2.441  1.00  0.00           H  
HETATM   45  H   UNL     1      -8.158  -1.648  -1.149  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.214   0.415  -0.808  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.062  -0.370   1.758  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.621  -1.990  -0.789  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.652  -2.157   0.695  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.679  -2.511   0.554  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.182  -4.926   0.818  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.477  -4.290  -0.688  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.439  -4.577   0.729  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.630  -3.105   2.738  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.806  -1.768   2.753  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.374  -3.454   2.827  1.00  0.00           H  
HETATM   57  H   UNL     1       0.578  -0.376   1.343  1.00  0.00           H  
HETATM   58  H   UNL     1       1.285   1.340  -0.924  1.00  0.00           H  
HETATM   59  H   UNL     1       0.654   2.906   0.937  1.00  0.00           H  
HETATM   60  H   UNL     1       1.910   2.154   1.949  1.00  0.00           H  
HETATM   61  H   UNL     1       3.598   2.737   0.161  1.00  0.00           H  
HETATM   62  H   UNL     1       2.952   4.361  -1.564  1.00  0.00           H  
HETATM   63  H   UNL     1       1.930   2.909  -1.699  1.00  0.00           H  
HETATM   64  H   UNL     1       1.282   4.387  -0.947  1.00  0.00           H  
HETATM   65  H   UNL     1       3.276   4.164   2.162  1.00  0.00           H  
HETATM   66  H   UNL     1       3.674   5.148   0.733  1.00  0.00           H  
HETATM   67  H   UNL     1       1.994   5.063   1.315  1.00  0.00           H  
HETATM   68  H   UNL     1       5.810   0.791  -2.349  1.00  0.00           H  
HETATM   69  H   UNL     1       6.570  -0.776  -1.981  1.00  0.00           H  
HETATM   70  H   UNL     1       4.462  -1.243  -5.084  1.00  0.00           H  
HETATM   71  H   UNL     1       5.374   0.220  -4.642  1.00  0.00           H  
HETATM   72  H   UNL     1       6.127  -1.383  -4.469  1.00  0.00           H  
HETATM   73  H   UNL     1       6.544   1.248  -0.102  1.00  0.00           H  
HETATM   74  H   UNL     1       7.857  -2.572   0.215  1.00  0.00           H  
HETATM   75  H   UNL     1       6.323  -2.154  -0.585  1.00  0.00           H  
HETATM   76  H   UNL     1       7.837  -1.373  -1.100  1.00  0.00           H  
HETATM   77  H   UNL     1       9.200  -0.716   1.468  1.00  0.00           H  
HETATM   78  H   UNL     1       8.309   0.839   1.911  1.00  0.00           H  
HETATM   79  H   UNL     1       4.870   0.185   2.018  1.00  0.00           H  
HETATM   80  H   UNL     1       4.774  -1.205  -0.287  1.00  0.00           H  
HETATM   81  H   UNL     1       3.683  -0.439  -2.906  1.00  0.00           H  
HETATM   82  H   UNL     1       5.496  -2.879  -2.625  1.00  0.00           H  
HETATM   83  H   UNL     1       4.139  -2.465  -1.550  1.00  0.00           H  
HETATM   84  H   UNL     1       3.829  -2.891  -3.250  1.00  0.00           H  
HETATM   85  H   UNL     1       3.739   1.385  -1.216  1.00  0.00           H  
CONECT    1    3    2    2   11                                       
CONECT    2    1    1                                                 
CONECT    3    4    1                                                 
CONECT    4    3    5   39   40                                       
CONECT    5    4    6    6   10                                       
CONECT    6    5    5    7   41                                       
CONECT    7    6    8    8   42                                       
CONECT    8    7    7    9   43                                       
CONECT    9   10   10    8   44                                       
CONECT   10    5    9    9   45                                       
CONECT   11    1   12   46                                            
CONECT   12   11   15   13   47                                       
CONECT   13   12   14   14   19                                       
CONECT   14   13   13                                                 
CONECT   15   16   12   48   49                                       
CONECT   16   17   18   15   50                                       
CONECT   17   16   51   52   53                                       
CONECT   18   16   54   55   56                                       
CONECT   19   13   20   57                                            
CONECT   20   19   23   21   58                                       
CONECT   21   20   22   22   38                                       
CONECT   22   21   21                                                 
CONECT   23   20   24   59   60                                       
CONECT   24   26   23   25   61                                       
CONECT   25   24   62   63   64                                       
CONECT   26   24   65   66   67                                       
CONECT   27   35   36   68   69                                       
CONECT   28   36   70   71   72                                       
CONECT   29   35   30   34   73                                       
CONECT   30   31   32   33   29                                       
CONECT   31   30   74   75   76                                       
CONECT   32   30   33                                                 
CONECT   33   32   30   77   78                                       
CONECT   34   29   79                                                 
CONECT   35   38   27   29   80                                       
CONECT   36   37   28   27   81                                       
CONECT   37   36   82   83   84                                       
CONECT   38   21   35   85                                            
CONECT   39    4                                                      
CONECT   40    4                                                      
CONECT   41    6                                                      
CONECT   42    7                                                      
CONECT   43    8                                                      
CONECT   44    9                                                      
CONECT   45   10                                                      
CONECT   46   11                                                      
CONECT   47   12                                                      
CONECT   48   15                                                      
CONECT   49   15                                                      
CONECT   50   16                                                      
CONECT   51   17                                                      
CONECT   52   17                                                      
CONECT   53   17                                                      
CONECT   54   18                                                      
CONECT   55   18                                                      
CONECT   56   18                                                      
CONECT   57   19                                                      
CONECT   58   20                                                      
CONECT   59   23                                                      
CONECT   60   23                                                      
CONECT   61   24                                                      
CONECT   62   25                                                      
CONECT   63   25                                                      
CONECT   64   25                                                      
CONECT   65   26                                                      
CONECT   66   26                                                      
CONECT   67   26                                                      
CONECT   68   27                                                      
CONECT   69   27                                                      
CONECT   70   28                                                      
CONECT   71   28                                                      
CONECT   72   28                                                      
CONECT   73   29                                                      
CONECT   74   31                                                      
CONECT   75   31                                                      
CONECT   76   31                                                      
CONECT   77   33                                                      
CONECT   78   33                                                      
CONECT   79   34                                                      
CONECT   80   35                                                      
CONECT   81   36                                                      
CONECT   82   37                                                      
CONECT   83   37                                                      
CONECT   84   37                                                      
CONECT   85   38                                                      
MASTER        0    0    0    0    0    0    0    0   85    0   85    0
END
