COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.533   2.289   1.876  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.461   1.555   0.906  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.780   1.228   1.610  1.00  0.00           C  
HETATM    4  N   UNL     1      -6.668   0.525   0.680  1.00  0.00           N  
HETATM    5  C   UNL     1      -7.893   0.135   1.084  1.00  0.00           C  
HETATM    6  O   UNL     1      -8.261   0.366   2.220  1.00  0.00           O  
HETATM    7  C   UNL     1      -8.788  -0.573   0.149  1.00  0.00           C  
HETATM    8  C   UNL     1      -8.368  -0.841  -1.158  1.00  0.00           C  
HETATM    9  C   UNL     1      -9.206  -1.502  -2.029  1.00  0.00           C  
HETATM   10  C   UNL     1     -10.466  -1.904  -1.617  1.00  0.00           C  
HETATM   11  C   UNL     1     -10.896  -1.647  -0.327  1.00  0.00           C  
HETATM   12  O   UNL     1     -12.135  -2.045   0.069  1.00  0.00           O  
HETATM   13  C   UNL     1     -10.059  -0.985   0.566  1.00  0.00           C  
HETATM   14  O   UNL     1     -10.475  -0.735   1.834  1.00  0.00           O  
HETATM   15  H   UNL     1      -3.336   1.655   2.740  1.00  0.00           H  
HETATM   16  H   UNL     1      -4.658   2.189   0.041  1.00  0.00           H  
HETATM   17  H   UNL     1      -5.582   0.593   2.474  1.00  0.00           H  
HETATM   18  H   UNL     1      -6.374   0.340  -0.225  1.00  0.00           H  
HETATM   19  H   UNL     1     -10.932   0.111   1.938  1.00  0.00           H  
HETATM   20  N   UNL     1      -2.271   2.602   1.202  1.00  0.00           N  
HETATM   21  C   UNL     1      -2.131   3.768   0.541  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.824   4.138  -0.034  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.160   1.648   1.247  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.187   0.774  -0.008  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.027  -0.222   0.039  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.054  -1.096  -1.217  1.00  0.00           C  
HETATM   27  N   UNL     1       1.056  -2.050  -1.172  1.00  0.00           N  
HETATM   28  C   UNL     1       0.884  -3.259  -0.601  1.00  0.00           C  
HETATM   29  C   UNL     1       1.962  -4.265  -0.663  1.00  0.00           C  
HETATM   30  C   UNL     1       2.355  -1.691  -1.748  1.00  0.00           C  
HETATM   31  C   UNL     1       3.266  -1.142  -0.648  1.00  0.00           C  
HETATM   32  C   UNL     1       4.622  -0.767  -1.249  1.00  0.00           C  
HETATM   33  N   UNL     1       5.494  -0.241  -0.196  1.00  0.00           N  
HETATM   34  C   UNL     1       6.747   0.156  -0.495  1.00  0.00           C  
HETATM   35  C   UNL     1       7.626   0.685   0.565  1.00  0.00           C  
HETATM   36  C   UNL     1       0.315   4.173   0.776  1.00  0.00           C  
HETATM   37  C   UNL     1       1.534   4.520   0.236  1.00  0.00           C  
HETATM   38  C   UNL     1       1.640   4.835  -1.109  1.00  0.00           C  
HETATM   39  C   UNL     1       0.521   4.805  -1.924  1.00  0.00           C  
HETATM   40  C   UNL     1      -0.716   4.451  -1.394  1.00  0.00           C  
HETATM   41  C   UNL     1       7.163   0.776   1.881  1.00  0.00           C  
HETATM   42  C   UNL     1       7.986   1.271   2.869  1.00  0.00           C  
HETATM   43  C   UNL     1       9.274   1.681   2.566  1.00  0.00           C  
HETATM   44  C   UNL     1       9.747   1.597   1.267  1.00  0.00           C  
HETATM   45  C   UNL     1       8.929   1.094   0.260  1.00  0.00           C  
HETATM   46  O   UNL     1      -3.083   4.515   0.417  1.00  0.00           O  
HETATM   47  O   UNL     1       7.153   0.079  -1.639  1.00  0.00           O  
HETATM   48  O   UNL     1      -0.160  -3.520  -0.035  1.00  0.00           O  
HETATM   49  C   UNL     1       2.497  -4.646  -1.897  1.00  0.00           C  
HETATM   50  C   UNL     1       3.503  -5.586  -1.950  1.00  0.00           C  
HETATM   51  C   UNL     1       3.990  -6.157  -0.786  1.00  0.00           C  
HETATM   52  C   UNL     1       3.470  -5.790   0.443  1.00  0.00           C  
HETATM   53  C   UNL     1       2.457  -4.838   0.514  1.00  0.00           C  
HETATM   54  O   UNL     1      -1.815   4.420  -2.190  1.00  0.00           O  
HETATM   55  O   UNL     1       0.633   5.116  -3.243  1.00  0.00           O  
HETATM   56  O   UNL     1       9.390   1.010  -1.014  1.00  0.00           O  
HETATM   57  O   UNL     1      11.013   2.002   0.977  1.00  0.00           O  
HETATM   58  H   UNL     1      -0.216   2.191   1.291  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.258   1.018   2.131  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.131   0.231  -0.053  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.089   1.405  -0.892  1.00  0.00           H  
HETATM   62  H   UNL     1       0.917   0.321   0.083  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.125  -0.853   0.922  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.998  -1.639  -1.261  1.00  0.00           H  
HETATM   65  H   UNL     1       0.044  -0.466  -2.101  1.00  0.00           H  
HETATM   66  H   UNL     1       2.812  -2.575  -2.192  1.00  0.00           H  
HETATM   67  H   UNL     1       2.213  -0.930  -2.516  1.00  0.00           H  
HETATM   68  H   UNL     1       2.808  -0.258  -0.204  1.00  0.00           H  
HETATM   69  H   UNL     1       3.407  -1.903   0.120  1.00  0.00           H  
HETATM   70  H   UNL     1       5.080  -1.651  -1.693  1.00  0.00           H  
HETATM   71  H   UNL     1       4.481  -0.006  -2.017  1.00  0.00           H  
HETATM   72  H   UNL     1       5.170  -0.179   0.716  1.00  0.00           H  
HETATM   73  H   UNL     1       0.239   3.929   1.826  1.00  0.00           H  
HETATM   74  H   UNL     1       2.412   4.547   0.865  1.00  0.00           H  
HETATM   75  H   UNL     1       2.599   5.106  -1.523  1.00  0.00           H  
HETATM   76  H   UNL     1       6.159   0.458   2.124  1.00  0.00           H  
HETATM   77  H   UNL     1       7.625   1.340   3.884  1.00  0.00           H  
HETATM   78  H   UNL     1       9.912   2.069   3.346  1.00  0.00           H  
HETATM   79  H   UNL     1       2.121  -4.204  -2.808  1.00  0.00           H  
HETATM   80  H   UNL     1       3.913  -5.879  -2.905  1.00  0.00           H  
HETATM   81  H   UNL     1       4.778  -6.893  -0.838  1.00  0.00           H  
HETATM   82  H   UNL     1      -1.972   3.563  -2.610  1.00  0.00           H  
HETATM   83  H   UNL     1       0.824   4.358  -3.811  1.00  0.00           H  
HETATM   84  H   UNL     1       9.824   0.171  -1.221  1.00  0.00           H  
HETATM   85  H   UNL     1      11.677   1.303   1.055  1.00  0.00           H  
HETATM   86  O   UNL     1       1.946  -4.474   1.718  1.00  0.00           O  
HETATM   87  H   UNL     1       2.403  -3.730   2.132  1.00  0.00           H  
HETATM   88  O   UNL     1       3.952  -6.356   1.582  1.00  0.00           O  
HETATM   89  H   UNL     1      -4.009   3.213   2.204  1.00  0.00           H  
HETATM   90  H   UNL     1      -3.986   0.631   0.577  1.00  0.00           H  
HETATM   91  H   UNL     1      -6.255   2.152   1.938  1.00  0.00           H  
HETATM   92  H   UNL     1      -7.387  -0.530  -1.484  1.00  0.00           H  
HETATM   93  H   UNL     1      -8.879  -1.707  -3.037  1.00  0.00           H  
HETATM   94  H   UNL     1     -11.117  -2.421  -2.307  1.00  0.00           H  
HETATM   95  H   UNL     1     -12.160  -2.933   0.450  1.00  0.00           H  
HETATM   96  H   UNL     1       4.695  -5.877   1.975  1.00  0.00           H  
CONECT    1    2   15   20   89                                       
CONECT    2    3    1   16   90                                       
CONECT    3    2    4   17   91                                       
CONECT    4    3    5   18                                            
CONECT    5    6    6    4    7                                       
CONECT    6    5    5                                                 
CONECT    7    5    8    8   13                                       
CONECT    8    7    7    9   92                                       
CONECT    9    8   10   10   93                                       
CONECT   10    9    9   11   94                                       
CONECT   11   13   13   10   12                                       
CONECT   12   11   95                                                 
CONECT   13    7   14   11   11                                       
CONECT   14   13   19                                                 
CONECT   15    1                                                      
CONECT   16    2                                                      
CONECT   17    3                                                      
CONECT   18    4                                                      
CONECT   19   14                                                      
CONECT   20    1   21   23                                            
CONECT   21   20   22   46   46                                       
CONECT   22   21   36   40   40                                       
CONECT   23   20   24   58   59                                       
CONECT   24   23   25   60   61                                       
CONECT   25   24   26   62   63                                       
CONECT   26   25   27   64   65                                       
CONECT   27   26   28   30                                            
CONECT   28   27   29   48   48                                       
CONECT   29   28   49   53   53                                       
CONECT   30   27   31   66   67                                       
CONECT   31   30   32   68   69                                       
CONECT   32   31   33   70   71                                       
CONECT   33   32   34   72                                            
CONECT   34   33   35   47   47                                       
CONECT   35   34   41   45   45                                       
CONECT   36   22   37   37   73                                       
CONECT   37   36   36   38   74                                       
CONECT   38   37   39   39   75                                       
CONECT   39   38   38   40   55                                       
CONECT   40   39   22   22   54                                       
CONECT   41   35   42   42   76                                       
CONECT   42   41   41   43   77                                       
CONECT   43   42   44   44   78                                       
CONECT   44   43   43   45   57                                       
CONECT   45   44   35   35   56                                       
CONECT   46   21   21                                                 
CONECT   47   34   34                                                 
CONECT   48   28   28                                                 
CONECT   49   29   50   50   79                                       
CONECT   50   49   49   51   80                                       
CONECT   51   50   52   52   81                                       
CONECT   52   51   51   53   88                                       
CONECT   53   52   29   29   86                                       
CONECT   54   40   82                                                 
CONECT   55   39   83                                                 
CONECT   56   45   84                                                 
CONECT   57   44   85                                                 
CONECT   58   23                                                      
CONECT   59   23                                                      
CONECT   60   24                                                      
CONECT   61   24                                                      
CONECT   62   25                                                      
CONECT   63   25                                                      
CONECT   64   26                                                      
CONECT   65   26                                                      
CONECT   66   30                                                      
CONECT   67   30                                                      
CONECT   68   31                                                      
CONECT   69   31                                                      
CONECT   70   32                                                      
CONECT   71   32                                                      
CONECT   72   33                                                      
CONECT   73   36                                                      
CONECT   74   37                                                      
CONECT   75   38                                                      
CONECT   76   41                                                      
CONECT   77   42                                                      
CONECT   78   43                                                      
CONECT   79   49                                                      
CONECT   80   50                                                      
CONECT   81   51                                                      
CONECT   82   54                                                      
CONECT   83   55                                                      
CONECT   84   56                                                      
CONECT   85   57                                                      
CONECT   86   53   87                                                 
CONECT   87   86                                                      
CONECT   88   52   96                                                 
CONECT   89    1                                                      
CONECT   90    2                                                      
CONECT   91    3                                                      
CONECT   92    8                                                      
CONECT   93    9                                                      
CONECT   94   10                                                      
CONECT   95   12                                                      
CONECT   96   88                                                      
MASTER        0    0    0    0    0    0    0    0   96    0   96    0
END
