COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNK A   0     -13.921  -0.680   0.438  1.00  0.00           O  
HETATM    2  C   UNK A   0     -13.855   0.526   0.292  1.00  0.00           C  
HETATM    3  C   UNK A   0     -12.659   1.161  -0.289  1.00  0.00           C  
HETATM    4  N   UNK A   0     -14.879   1.334   0.653  1.00  0.00           N  
HETATM    5  C   UNK A   0     -12.655   2.568  -0.428  1.00  0.00           C  
HETATM    6  N   UNK A   0     -11.610   0.450  -0.677  1.00  0.00           N  
HETATM    7  C   UNK A   0     -14.786   2.684   0.482  1.00  0.00           C  
HETATM    8  N   UNK A   0     -11.586   3.170  -0.951  1.00  0.00           N  
HETATM    9  N   UNK A   0     -13.731   3.270  -0.028  1.00  0.00           N  
HETATM   10  C   UNK A   0     -10.562   1.063  -1.192  1.00  0.00           C  
HETATM   11  N   UNK A   0     -15.848   3.464   0.861  1.00  0.00           N  
HETATM   12  C   UNK A   0     -10.551   2.447  -1.331  1.00  0.00           C  
HETATM   13  C   UNK A   0      -9.368   0.258  -1.633  1.00  0.00           C  
HETATM   14  N   UNK A   0      -8.489   0.018  -0.486  1.00  0.00           N  
HETATM   15  C   UNK A   0      -7.315  -0.709  -0.649  1.00  0.00           C  
HETATM   16  C   UNK A   0      -6.972  -1.203  -1.905  1.00  0.00           C  
HETATM   17  C   UNK A   0      -6.481  -0.936   0.443  1.00  0.00           C  
HETATM   18  C   UNK A   0      -5.808  -1.918  -2.070  1.00  0.00           C  
HETATM   19  C   UNK A   0      -5.318  -1.655   0.285  1.00  0.00           C  
HETATM   20  C   UNK A   0      -4.969  -2.148  -0.976  1.00  0.00           C  
HETATM   21  C   UNK A   0      -3.721  -2.914  -1.150  1.00  0.00           C  
HETATM   22  O   UNK A   0      -3.421  -3.347  -2.246  1.00  0.00           O  
HETATM   23  N   UNK A   1      -2.913  -3.135  -0.094  1.00  0.00           N  
HETATM   24  C   UNK A   1      -1.673  -3.896  -0.267  1.00  0.00           C  
HETATM   25  C   UNK A   1      -1.970  -5.370  -0.164  1.00  0.00           C  
HETATM   26  O   UNK A   1      -3.101  -5.746   0.033  1.00  0.00           O  
HETATM   27  C   UNK A   1      -0.675  -3.500   0.822  1.00  0.00           C  
HETATM   28  C   UNK A   1      -0.278  -2.033   0.642  1.00  0.00           C  
HETATM   29  C   UNK A   1       0.705  -1.643   1.715  1.00  0.00           C  
HETATM   30  O   UNK A   1       1.054  -2.457   2.543  1.00  0.00           O  
HETATM   31  O   UNK A   1      -0.978  -6.265  -0.292  1.00  0.00           O  
HETATM   32  N   UNK A   1       1.196  -0.389   1.755  1.00  0.00           N  
HETATM   33  C   UNK A   1       2.152  -0.009   2.798  1.00  0.00           C  
HETATM   34  C   UNK A   1       1.403   0.400   4.041  1.00  0.00           C  
HETATM   35  O   UNK A   1       0.195   0.376   4.053  1.00  0.00           O  
HETATM   36  C   UNK A   1       3.004   1.163   2.307  1.00  0.00           C  
HETATM   37  C   UNK A   1       3.858   0.711   1.121  1.00  0.00           C  
HETATM   38  C   UNK A   1       4.698   1.866   0.638  1.00  0.00           C  
HETATM   39  O   UNK A   1       4.620   2.944   1.188  1.00  0.00           O  
HETATM   40  O   UNK A   1       2.078   0.790   5.133  1.00  0.00           O  
HETATM   41  N   UNK A   1       5.534   1.700  -0.406  1.00  0.00           N  
HETATM   42  C   UNK A   1       6.350   2.822  -0.875  1.00  0.00           C  
HETATM   43  C   UNK A   1       5.547   3.659  -1.838  1.00  0.00           C  
HETATM   44  O   UNK A   1       4.410   3.349  -2.104  1.00  0.00           O  
HETATM   45  C   UNK A   1       7.596   2.286  -1.583  1.00  0.00           C  
HETATM   46  C   UNK A   1       8.474   1.541  -0.575  1.00  0.00           C  
HETATM   47  C   UNK A   1       9.702   1.013  -1.272  1.00  0.00           C  
HETATM   48  O   UNK A   1       9.859   1.212  -2.458  1.00  0.00           O  
HETATM   49  O   UNK A   1       6.095   4.748  -2.399  1.00  0.00           O  
HETATM   50  N   UNK A   1      10.625   0.319  -0.577  1.00  0.00           N  
HETATM   51  C   UNK A   1      11.818  -0.195  -1.254  1.00  0.00           C  
HETATM   52  C   UNK A   1      11.503  -1.526  -1.887  1.00  0.00           C  
HETATM   53  O   UNK A   1      10.395  -1.997  -1.782  1.00  0.00           O  
HETATM   54  C   UNK A   1      12.947  -0.368  -0.237  1.00  0.00           C  
HETATM   55  C   UNK A   1      13.352   1.001   0.314  1.00  0.00           C  
HETATM   56  C   UNK A   1      14.464   0.831   1.316  1.00  0.00           C  
HETATM   57  O   UNK A   1      14.890  -0.273   1.564  1.00  0.00           O  
HETATM   58  O   UNK A   1      14.983   1.904   1.933  1.00  0.00           O  
HETATM   59  O   UNK A   1      12.453  -2.188  -2.566  1.00  0.00           O  
HETATM   60  H   UNK A   0     -15.683   0.951   1.035  1.00  0.00           H  
HETATM   61  H   UNK A   0     -16.640   3.053   1.241  1.00  0.00           H  
HETATM   62  H   UNK A   0     -15.806   4.427   0.749  1.00  0.00           H  
HETATM   63  H   UNK A   0      -9.686   2.934  -1.755  1.00  0.00           H  
HETATM   64  H   UNK A   0      -9.703  -0.696  -2.040  1.00  0.00           H  
HETATM   65  H   UNK A   0      -8.822   0.808  -2.400  1.00  0.00           H  
HETATM   66  H   UNK A   0      -8.727   0.366   0.388  1.00  0.00           H  
HETATM   67  H   UNK A   0      -7.621  -1.025  -2.750  1.00  0.00           H  
HETATM   68  H   UNK A   0      -6.748  -0.548   1.415  1.00  0.00           H  
HETATM   69  H   UNK A   0      -5.542  -2.298  -3.045  1.00  0.00           H  
HETATM   70  H   UNK A   0      -4.672  -1.830   1.132  1.00  0.00           H  
HETATM   71  H   UNK A   1      -3.152  -2.790   0.780  1.00  0.00           H  
HETATM   72  H   UNK A   1      -1.247  -3.679  -1.247  1.00  0.00           H  
HETATM   73  H   UNK A   1      -1.134  -3.634   1.802  1.00  0.00           H  
HETATM   74  H   UNK A   1       0.212  -4.128   0.748  1.00  0.00           H  
HETATM   75  H   UNK A   1       0.181  -1.899  -0.338  1.00  0.00           H  
HETATM   76  H   UNK A   1      -1.166  -1.405   0.716  1.00  0.00           H  
HETATM   77  H   UNK A   1      -1.217  -7.199  -0.219  1.00  0.00           H  
HETATM   78  H   UNK A   1       0.917   0.263   1.092  1.00  0.00           H  
HETATM   79  H   UNK A   1       2.797  -0.858   3.026  1.00  0.00           H  
HETATM   80  H   UNK A   1       2.353   1.980   1.996  1.00  0.00           H  
HETATM   81  H   UNK A   1       3.654   1.503   3.114  1.00  0.00           H  
HETATM   82  H   UNK A   1       4.509  -0.106   1.433  1.00  0.00           H  
HETATM   83  H   UNK A   1       3.209   0.371   0.315  1.00  0.00           H  
HETATM   84  H   UNK A   1       1.555   1.043   5.906  1.00  0.00           H  
HETATM   85  H   UNK A   1       5.596   0.838  -0.845  1.00  0.00           H  
HETATM   86  H   UNK A   1       6.651   3.434  -0.025  1.00  0.00           H  
HETATM   87  H   UNK A   1       7.297   1.603  -2.378  1.00  0.00           H  
HETATM   88  H   UNK A   1       8.158   3.117  -2.010  1.00  0.00           H  
HETATM   89  H   UNK A   1       8.774   2.224   0.220  1.00  0.00           H  
HETATM   90  H   UNK A   1       7.913   0.710  -0.148  1.00  0.00           H  
HETATM   91  H   UNK A   1       5.541   5.253  -3.010  1.00  0.00           H  
HETATM   92  H   UNK A   1      10.499   0.160   0.371  1.00  0.00           H  
HETATM   93  H   UNK A   1      12.129   0.509  -2.026  1.00  0.00           H  
HETATM   94  H   UNK A   1      12.605  -1.002   0.581  1.00  0.00           H  
HETATM   95  H   UNK A   1      13.806  -0.832  -0.722  1.00  0.00           H  
HETATM   96  H   UNK A   1      13.694   1.635  -0.504  1.00  0.00           H  
HETATM   97  H   UNK A   1      12.494   1.466   0.799  1.00  0.00           H  
HETATM   98  H   UNK A   1      15.694   1.745   2.567  1.00  0.00           H  
HETATM   99  H   UNK A   1      12.203  -3.038  -2.953  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    4    3    1    1                                       
CONECT    3    5    2    6    6                                       
CONECT    4    7    2   60                                            
CONECT    5    9    8    8    3                                       
CONECT    6    3    3   10                                            
CONECT    7   11    9    9    4                                       
CONECT    8    5    5   12                                            
CONECT    9    7    7    5                                            
CONECT   10   12   12    6   13                                       
CONECT   11    7   61   62                                            
CONECT   12    8   10   10   63                                       
CONECT   13   10   14   64   65                                       
CONECT   14   15   13   66                                            
CONECT   15   16   16   17   14                                       
CONECT   16   18   15   15   67                                       
CONECT   17   19   19   15   68                                       
CONECT   18   20   20   16   69                                       
CONECT   19   20   17   17   70                                       
CONECT   20   21   18   18   19                                       
CONECT   21   23   22   22   20                                       
CONECT   22   21   21                                                 
CONECT   23   24   21   71                                            
CONECT   24   25   27   23   72                                       
CONECT   25   26   26   24   31                                       
CONECT   26   25   25                                                 
CONECT   27   24   28   73   74                                       
CONECT   28   27   29   75   76                                       
CONECT   29   32   28   30   30                                       
CONECT   30   29   29                                                 
CONECT   31   25   77                                                 
CONECT   32   33   29   78                                            
CONECT   33   36   32   34   79                                       
CONECT   34   35   35   33   40                                       
CONECT   35   34   34                                                 
CONECT   36   37   33   80   81                                       
CONECT   37   36   38   82   83                                       
CONECT   38   37   41   39   39                                       
CONECT   39   38   38                                                 
CONECT   40   34   84                                                 
CONECT   41   38   42   85                                            
CONECT   42   45   41   43   86                                       
CONECT   43   42   44   44   49                                       
CONECT   44   43   43                                                 
CONECT   45   42   46   87   88                                       
CONECT   46   47   45   89   90                                       
CONECT   47   48   48   50   46                                       
CONECT   48   47   47                                                 
CONECT   49   43   91                                                 
CONECT   50   51   47   92                                            
CONECT   51   52   54   50   93                                       
CONECT   52   53   53   59   51                                       
CONECT   53   52   52                                                 
CONECT   54   55   51   94   95                                       
CONECT   55   56   54   96   97                                       
CONECT   56   57   57   58   55                                       
CONECT   57   56   56                                                 
CONECT   58   56   98                                                 
CONECT   59   52   99                                                 
CONECT   60    4                                                      
CONECT   61   11                                                      
CONECT   62   11                                                      
CONECT   63   12                                                      
CONECT   64   13                                                      
CONECT   65   13                                                      
CONECT   66   14                                                      
CONECT   67   16                                                      
CONECT   68   17                                                      
CONECT   69   18                                                      
CONECT   70   19                                                      
CONECT   71   23                                                      
CONECT   72   24                                                      
CONECT   73   27                                                      
CONECT   74   27                                                      
CONECT   75   28                                                      
CONECT   76   28                                                      
CONECT   77   31                                                      
CONECT   78   32                                                      
CONECT   79   33                                                      
CONECT   80   36                                                      
CONECT   81   36                                                      
CONECT   82   37                                                      
CONECT   83   37                                                      
CONECT   84   40                                                      
CONECT   85   41                                                      
CONECT   86   42                                                      
CONECT   87   45                                                      
CONECT   88   45                                                      
CONECT   89   46                                                      
CONECT   90   46                                                      
CONECT   91   49                                                      
CONECT   92   50                                                      
CONECT   93   51                                                      
CONECT   94   54                                                      
CONECT   95   54                                                      
CONECT   96   55                                                      
CONECT   97   55                                                      
CONECT   98   58                                                      
CONECT   99   59                                                      
MASTER        0    0    0    0    0    0    0    0   99    0   99    0
END
