COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.400  -3.686   0.518  1.00  0.00           C  
HETATM    2  O   UNL     1      -4.893  -4.407  -0.347  1.00  0.00           O  
HETATM    3  O   UNL     1      -1.075   1.365  -1.575  1.00  0.00           O  
HETATM    4  C   UNL     1      -1.622  -3.362   1.870  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.181  -3.479  -0.133  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.893  -3.227   2.336  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.286  -3.127   2.059  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.218  -1.789   2.803  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.908  -0.683   2.006  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.731   0.657   2.726  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.044  -4.615  -2.090  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.084  -3.776  -1.507  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.736   1.795   1.708  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.798   2.916   2.162  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.220   3.614   0.928  1.00  0.00           C  
HETATM   16  N   UNL     1      -3.960  -3.483   1.570  1.00  0.00           N1+
HETATM   17  C   UNL     1      -3.469   4.877   1.356  1.00  0.00           C  
HETATM   18  C   UNL     1       0.123   4.403  -2.316  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.713   4.123  -1.074  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.447   4.966   0.175  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.521   6.031   0.357  1.00  0.00           C  
HETATM   22  O   UNL     1       7.577  -1.533   1.814  1.00  0.00           O  
HETATM   23  N   UNL     1      -2.848   5.492   0.208  1.00  0.00           N  
HETATM   24  C   UNL     1       0.382   3.133  -1.502  1.00  0.00           C  
HETATM   25  C   UNL     1       2.415   0.946  -1.425  1.00  0.00           C  
HETATM   26  C   UNL     1       1.870   0.510  -2.787  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.059   1.823  -2.053  1.00  0.00           C  
HETATM   28  C   UNL     1       3.818   0.370  -1.229  1.00  0.00           C  
HETATM   29  C   UNL     1       5.718   0.128   0.377  1.00  0.00           C  
HETATM   30  C   UNL     1       6.213   0.462   1.785  1.00  0.00           C  
HETATM   31  C   UNL     1       7.617  -0.114   1.982  1.00  0.00           C  
HETATM   32  C   UNL     1       8.112   0.219   3.390  1.00  0.00           C  
HETATM   33  C   UNL     1       4.314   0.704   0.180  1.00  0.00           C  
HETATM   34  N   UNL     1       0.520   1.085  -3.005  1.00  0.00           N  
HETATM   35  C   UNL     1      -2.165   3.686  -1.286  1.00  0.00           C  
HETATM   36  C   UNL     1      -3.103   4.878  -1.071  1.00  0.00           C  
HETATM   37  C   UNL     1      -3.801  -4.016   0.354  1.00  0.00           C  
HETATM   38  C   UNL     1      -2.517  -4.180  -0.218  1.00  0.00           C  
HETATM   39  C   UNL     1      -2.256  -4.779  -1.461  1.00  0.00           C  
HETATM   40  C   UNL     1       0.829  -2.924  -2.270  1.00  0.00           C  
HETATM   41  N   UNL     1       1.275  -1.705  -1.745  1.00  0.00           N  
HETATM   42  C   UNL     1       1.412  -3.030  -3.487  1.00  0.00           C  
HETATM   43  N   UNL     1       1.917  -1.821  -3.806  1.00  0.00           N  
HETATM   44  C   UNL     1       1.697  -0.988  -2.820  1.00  0.00           C  
HETATM   45  O   UNL     1       8.505   0.455   1.017  1.00  0.00           O  
HETATM   46  C   UNL     1       9.516  -0.357   3.587  1.00  0.00           C  
HETATM   47  H   UNL     1      -0.784  -3.221   2.537  1.00  0.00           H  
HETATM   48  H   UNL     1       0.673  -3.098   0.407  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.046  -2.904   3.355  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.643  -3.902   2.737  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.971  -3.039   1.216  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.709  -1.893   3.771  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.174  -1.519   2.959  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.466  -0.623   1.012  1.00  0.00           H  
HETATM   55  H   UNL     1      -6.971  -0.909   1.918  1.00  0.00           H  
HETATM   56  H   UNL     1      -6.548   0.800   3.434  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.782   0.657   3.263  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.835  -5.126  -3.018  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.405   1.416   0.742  1.00  0.00           H  
HETATM   60  H   UNL     1      -6.747   2.190   1.614  1.00  0.00           H  
HETATM   61  H   UNL     1      -5.354   3.637   2.761  1.00  0.00           H  
HETATM   62  H   UNL     1      -3.987   2.495   2.757  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.533   2.939   0.417  1.00  0.00           H  
HETATM   64  H   UNL     1      -5.031   3.886   0.252  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.169   5.579   1.809  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.701   4.612   2.083  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.362   4.289  -3.285  1.00  0.00           H  
HETATM   68  H   UNL     1       0.865   5.199  -2.254  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.435   4.316   1.050  1.00  0.00           H  
HETATM   70  H   UNL     1       0.525   5.451   0.079  1.00  0.00           H  
HETATM   71  H   UNL     1      -1.424   6.464   1.353  1.00  0.00           H  
HETATM   72  H   UNL     1      -1.371   6.815  -0.385  1.00  0.00           H  
HETATM   73  H   UNL     1       6.993  -1.987   2.437  1.00  0.00           H  
HETATM   74  H   UNL     1       1.284   3.111  -0.884  1.00  0.00           H  
HETATM   75  H   UNL     1       2.459   2.035  -1.384  1.00  0.00           H  
HETATM   76  H   UNL     1       1.758   0.579  -0.637  1.00  0.00           H  
HETATM   77  H   UNL     1       2.546   0.827  -3.581  1.00  0.00           H  
HETATM   78  H   UNL     1       3.788  -0.712  -1.357  1.00  0.00           H  
HETATM   79  H   UNL     1       4.496   0.804  -1.964  1.00  0.00           H  
HETATM   80  H   UNL     1       6.395   0.562  -0.359  1.00  0.00           H  
HETATM   81  H   UNL     1       5.688  -0.954   0.249  1.00  0.00           H  
HETATM   82  H   UNL     1       6.243   1.544   1.913  1.00  0.00           H  
HETATM   83  H   UNL     1       5.536   0.028   2.521  1.00  0.00           H  
HETATM   84  H   UNL     1       8.142   1.301   3.518  1.00  0.00           H  
HETATM   85  H   UNL     1       7.435  -0.215   4.126  1.00  0.00           H  
HETATM   86  H   UNL     1       4.344   1.786   0.308  1.00  0.00           H  
HETATM   87  H   UNL     1       3.637   0.270   0.915  1.00  0.00           H  
HETATM   88  H   UNL     1       0.056   0.925  -3.842  1.00  0.00           H  
HETATM   89  H   UNL     1      -2.285   3.309  -2.302  1.00  0.00           H  
HETATM   90  H   UNL     1      -2.413   2.897  -0.576  1.00  0.00           H  
HETATM   91  H   UNL     1      -4.136   4.533  -1.106  1.00  0.00           H  
HETATM   92  H   UNL     1      -2.943   5.610  -1.862  1.00  0.00           H  
HETATM   93  H   UNL     1      -3.020  -5.378  -1.932  1.00  0.00           H  
HETATM   94  H   UNL     1       1.281  -1.431  -0.815  1.00  0.00           H  
HETATM   95  H   UNL     1       1.465  -3.923  -4.093  1.00  0.00           H  
HETATM   96  H   UNL     1       8.581   1.417   1.072  1.00  0.00           H  
HETATM   97  H   UNL     1       9.486  -1.439   3.459  1.00  0.00           H  
HETATM   98  H   UNL     1      10.193   0.077   2.851  1.00  0.00           H  
HETATM   99  H   UNL     1       9.869  -0.119   4.590  1.00  0.00           H  
HETATM  100  H   UNL     1      -5.268  -3.715  -0.910  1.00  0.00           H  
CONECT    1    5    5   38    4                                       
CONECT    2   37  100                                                 
CONECT    3   27   27                                                 
CONECT    4    1    6    6   47                                       
CONECT    5   12    1    1   48                                       
CONECT    6    4    4   16   49                                       
CONECT    7   16    8   50   51                                       
CONECT    8    7    9   52   53                                       
CONECT    9   10    8   54   55                                       
CONECT   10   13    9   56   57                                       
CONECT   11   12   12   39   58                                       
CONECT   12   40   11   11    5                                       
CONECT   13   14   10   59   60                                       
CONECT   14   15   13   61   62                                       
CONECT   15   17   14   63   64                                       
CONECT   16   37   37    6    7                                       
CONECT   17   23   15   65   66                                       
CONECT   18   24   19   67   68                                       
CONECT   19   18   24   35   20                                       
CONECT   20   19   21   69   70                                       
CONECT   21   20   23   71   72                                       
CONECT   22   31   73                                                 
CONECT   23   36   21   17                                            
CONECT   24   18   27   19   74                                       
CONECT   25   26   28   75   76                                       
CONECT   26   34   44   25   77                                       
CONECT   27    3    3   24   34                                       
CONECT   28   25   33   78   79                                       
CONECT   29   33   30   80   81                                       
CONECT   30   29   31   82   83                                       
CONECT   31   45   22   30   32                                       
CONECT   32   31   46   84   85                                       
CONECT   33   28   29   86   87                                       
CONECT   34   27   26   88                                            
CONECT   35   19   36   89   90                                       
CONECT   36   35   23   91   92                                       
CONECT   37   38    2   16   16                                       
CONECT   38   39   39    1   37                                       
CONECT   39   11   38   38   93                                       
CONECT   40   42   42   41   12                                       
CONECT   41   44   40   94                                            
CONECT   42   43   40   40   95                                       
CONECT   43   44   44   42                                            
CONECT   44   43   43   26   41                                       
CONECT   45   31   96                                                 
CONECT   46   32   97   98   99                                       
CONECT   47    4                                                      
CONECT   48    5                                                      
CONECT   49    6                                                      
CONECT   50    7                                                      
CONECT   51    7                                                      
CONECT   52    8                                                      
CONECT   53    8                                                      
CONECT   54    9                                                      
CONECT   55    9                                                      
CONECT   56   10                                                      
CONECT   57   10                                                      
CONECT   58   11                                                      
CONECT   59   13                                                      
CONECT   60   13                                                      
CONECT   61   14                                                      
CONECT   62   14                                                      
CONECT   63   15                                                      
CONECT   64   15                                                      
CONECT   65   17                                                      
CONECT   66   17                                                      
CONECT   67   18                                                      
CONECT   68   18                                                      
CONECT   69   20                                                      
CONECT   70   20                                                      
CONECT   71   21                                                      
CONECT   72   21                                                      
CONECT   73   22                                                      
CONECT   74   24                                                      
CONECT   75   25                                                      
CONECT   76   25                                                      
CONECT   77   26                                                      
CONECT   78   28                                                      
CONECT   79   28                                                      
CONECT   80   29                                                      
CONECT   81   29                                                      
CONECT   82   30                                                      
CONECT   83   30                                                      
CONECT   84   32                                                      
CONECT   85   32                                                      
CONECT   86   33                                                      
CONECT   87   33                                                      
CONECT   88   34                                                      
CONECT   89   35                                                      
CONECT   90   35                                                      
CONECT   91   36                                                      
CONECT   92   36                                                      
CONECT   93   39                                                      
CONECT   94   41                                                      
CONECT   95   42                                                      
CONECT   96   45                                                      
CONECT   97   46                                                      
CONECT   98   46                                                      
CONECT   99   46                                                      
CONECT  100    2                                                      
MASTER        0    0    0    0    0    0    0    0  100    0  100    0
END
