COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -1.174  -4.398  -0.008  1.00  0.00           N  
HETATM    2  N   UNL     1      -8.271   1.777  -0.356  1.00  0.00           N  
HETATM    3  C   UNL     1       6.404   1.424  -0.064  1.00  0.00           C  
HETATM    4  C   UNL     1       4.984   1.991  -0.106  1.00  0.00           C  
HETATM    5  C   UNL     1       4.007   0.964   0.468  1.00  0.00           C  
HETATM    6  C   UNL     1       2.467  -2.870  -0.593  1.00  0.00           C  
HETATM    7  C   UNL     1       0.901  -3.944   1.212  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.609  -4.110  -0.130  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.923   1.439   0.816  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.338   1.282   0.420  1.00  0.00           C  
HETATM   11  C   UNL     1      -6.633   3.056   0.791  1.00  0.00           C  
HETATM   12  C   UNL     1      -9.675   1.639  -0.751  1.00  0.00           C  
HETATM   13  C   UNL     1       8.801   1.884  -0.596  1.00  0.00           C  
HETATM   14  C   UNL     1       2.497  -1.653   0.296  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.531  -3.475   0.936  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.302  -4.390   1.205  1.00  0.00           C  
HETATM   17  C   UNL     1       0.916  -4.896  -1.186  1.00  0.00           C  
HETATM   18  C   UNL     1       0.230   1.107   1.073  1.00  0.00           C  
HETATM   19  C   UNL     1      -7.899   2.859   0.390  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.030   0.006  -0.714  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.986   0.954  -0.343  1.00  0.00           C  
HETATM   22  O   UNL     1      -7.763  -0.121  -1.403  1.00  0.00           O  
HETATM   23  C   UNL     1      -7.392   0.829  -0.738  1.00  0.00           C  
HETATM   24  C   UNL     1      -9.897   2.333  -2.096  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.603   2.082   0.421  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.272   2.240   0.800  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.730   0.170  -0.338  1.00  0.00           C  
HETATM   28  N   UNL     1      -0.884   0.584   0.520  1.00  0.00           N  
HETATM   29  C   UNL     1      -1.387   2.460   1.541  1.00  0.00           C  
HETATM   30  N   UNL     1      -0.078   2.223   1.678  1.00  0.00           N  
HETATM   31  C   UNL     1       1.609   0.504   1.000  1.00  0.00           C  
HETATM   32  C   UNL     1       2.586   1.531   0.426  1.00  0.00           C  
HETATM   33  C   UNL     1       7.381   2.451  -0.639  1.00  0.00           C  
HETATM   34  O   UNL     1       9.158   1.592   0.757  1.00  0.00           O  
HETATM   35  O   UNL     1       8.859   0.686  -1.373  1.00  0.00           O  
HETATM   36  C   UNL     1       9.779   2.911  -1.171  1.00  0.00           C  
HETATM   37  C   UNL     1      11.199   2.344  -1.129  1.00  0.00           C  
HETATM   38  N   UNL     1       1.580  -0.679   0.136  1.00  0.00           N  
HETATM   39  O   UNL     1       3.347  -1.551   1.156  1.00  0.00           O  
HETATM   40  C   UNL     1       1.643  -4.067  -0.123  1.00  0.00           C  
HETATM   41  C   UNL     1       3.169  -4.133  -0.088  1.00  0.00           C  
HETATM   42  C   UNL     1      -0.518  -4.370  -1.321  1.00  0.00           C  
HETATM   43  H   UNL     1       6.676   1.201   0.968  1.00  0.00           H  
HETATM   44  H   UNL     1       6.448   0.510  -0.656  1.00  0.00           H  
HETATM   45  H   UNL     1       4.940   2.905   0.486  1.00  0.00           H  
HETATM   46  H   UNL     1       4.712   2.214  -1.138  1.00  0.00           H  
HETATM   47  H   UNL     1       4.050   0.050  -0.124  1.00  0.00           H  
HETATM   48  H   UNL     1       4.278   0.741   1.500  1.00  0.00           H  
HETATM   49  H   UNL     1       2.499  -2.670  -1.664  1.00  0.00           H  
HETATM   50  H   UNL     1       1.408  -3.217   1.847  1.00  0.00           H  
HETATM   51  H   UNL     1       0.879  -4.915   1.709  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.748  -3.063  -0.399  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.042  -4.744  -0.904  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.377   3.924   1.380  1.00  0.00           H  
HETATM   55  H   UNL     1      -9.925   0.582  -0.842  1.00  0.00           H  
HETATM   56  H   UNL     1     -10.311   2.099   0.005  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.509  -2.474   0.506  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.094  -3.458   1.869  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.869  -3.756   1.979  1.00  0.00           H  
HETATM   60  H   UNL     1      -4.366  -4.177   1.114  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.163  -5.438   1.474  1.00  0.00           H  
HETATM   62  H   UNL     1       1.432  -4.800  -2.141  1.00  0.00           H  
HETATM   63  H   UNL     1       0.894  -5.944  -0.886  1.00  0.00           H  
HETATM   64  H   UNL     1      -8.651   3.583   0.668  1.00  0.00           H  
HETATM   65  H   UNL     1      -5.321  -0.856  -1.297  1.00  0.00           H  
HETATM   66  H   UNL     1      -9.647   3.390  -2.006  1.00  0.00           H  
HETATM   67  H   UNL     1      -9.260   1.873  -2.852  1.00  0.00           H  
HETATM   68  H   UNL     1     -10.942   2.231  -2.390  1.00  0.00           H  
HETATM   69  H   UNL     1      -3.969   3.097   1.384  1.00  0.00           H  
HETATM   70  H   UNL     1      -2.994  -0.566  -0.627  1.00  0.00           H  
HETATM   71  H   UNL     1      -0.943  -0.239   0.010  1.00  0.00           H  
HETATM   72  H   UNL     1      -1.925   3.310   1.935  1.00  0.00           H  
HETATM   73  H   UNL     1       1.932   0.215   2.001  1.00  0.00           H  
HETATM   74  H   UNL     1       2.543   2.445   1.018  1.00  0.00           H  
HETATM   75  H   UNL     1       2.315   1.754  -0.606  1.00  0.00           H  
HETATM   76  H   UNL     1       7.109   2.674  -1.671  1.00  0.00           H  
HETATM   77  H   UNL     1       7.337   3.365  -0.046  1.00  0.00           H  
HETATM   78  H   UNL     1       9.140   2.361   1.342  1.00  0.00           H  
HETATM   79  H   UNL     1       8.629   0.809  -2.304  1.00  0.00           H  
HETATM   80  H   UNL     1       9.507   3.134  -2.203  1.00  0.00           H  
HETATM   81  H   UNL     1       9.735   3.825  -0.578  1.00  0.00           H  
HETATM   82  H   UNL     1      11.471   2.122  -0.097  1.00  0.00           H  
HETATM   83  H   UNL     1      11.243   1.430  -1.721  1.00  0.00           H  
HETATM   84  H   UNL     1      11.895   3.076  -1.538  1.00  0.00           H  
HETATM   85  H   UNL     1       0.900  -0.761  -0.551  1.00  0.00           H  
HETATM   86  H   UNL     1       3.662  -4.764  -0.827  1.00  0.00           H  
HETATM   87  H   UNL     1       3.652  -4.084   0.888  1.00  0.00           H  
HETATM   88  H   UNL     1      -1.072  -5.000  -2.017  1.00  0.00           H  
HETATM   89  H   UNL     1      -0.496  -3.347  -1.695  1.00  0.00           H  
CONECT    1   15   42    8                                            
CONECT    2   23   19   12                                            
CONECT    3    4   33   43   44                                       
CONECT    4    5    3   45   46                                       
CONECT    5   32    4   47   48                                       
CONECT    6   41   14   40   49                                       
CONECT    7   40   15   50   51                                       
CONECT    8    1   16   52   53                                       
CONECT    9   29   29   28   10                                       
CONECT   10    9   27   27   26                                       
CONECT   11   25   19   19   54                                       
CONECT   12    2   24   55   56                                       
CONECT   13   35   34   33   36                                       
CONECT   14   39   39    6   38                                       
CONECT   15    7    1   57   58                                       
CONECT   16    8   59   60   61                                       
CONECT   17   40   42   62   63                                       
CONECT   18   30   30   31   28                                       
CONECT   19   11   11    2   64                                       
CONECT   20   27   21   21   65                                       
CONECT   21   20   20   25   23                                       
CONECT   22   23   23                                                 
CONECT   23   21   22   22    2                                       
CONECT   24   12   66   67   68                                       
CONECT   25   26   26   21   11                                       
CONECT   26   10   25   25   69                                       
CONECT   27   10   10   20   70                                       
CONECT   28   18    9   71                                            
CONECT   29   30    9    9   72                                       
CONECT   30   18   18   29                                            
CONECT   31   38   18   32   73                                       
CONECT   32   31    5   74   75                                       
CONECT   33    3   13   76   77                                       
CONECT   34   13   78                                                 
CONECT   35   13   79                                                 
CONECT   36   13   37   80   81                                       
CONECT   37   36   82   83   84                                       
CONECT   38   14   31   85                                            
CONECT   39   14   14                                                 
CONECT   40   41    6    7   17                                       
CONECT   41    6   40   86   87                                       
CONECT   42   17    1   88   89                                       
CONECT   43    3                                                      
CONECT   44    3                                                      
CONECT   45    4                                                      
CONECT   46    4                                                      
CONECT   47    5                                                      
CONECT   48    5                                                      
CONECT   49    6                                                      
CONECT   50    7                                                      
CONECT   51    7                                                      
CONECT   52    8                                                      
CONECT   53    8                                                      
CONECT   54   11                                                      
CONECT   55   12                                                      
CONECT   56   12                                                      
CONECT   57   15                                                      
CONECT   58   15                                                      
CONECT   59   16                                                      
CONECT   60   16                                                      
CONECT   61   16                                                      
CONECT   62   17                                                      
CONECT   63   17                                                      
CONECT   64   19                                                      
CONECT   65   20                                                      
CONECT   66   24                                                      
CONECT   67   24                                                      
CONECT   68   24                                                      
CONECT   69   26                                                      
CONECT   70   27                                                      
CONECT   71   28                                                      
CONECT   72   29                                                      
CONECT   73   31                                                      
CONECT   74   32                                                      
CONECT   75   32                                                      
CONECT   76   33                                                      
CONECT   77   33                                                      
CONECT   78   34                                                      
CONECT   79   35                                                      
CONECT   80   36                                                      
CONECT   81   36                                                      
CONECT   82   37                                                      
CONECT   83   37                                                      
CONECT   84   37                                                      
CONECT   85   38                                                      
CONECT   86   41                                                      
CONECT   87   41                                                      
CONECT   88   42                                                      
CONECT   89   42                                                      
MASTER        0    0    0    0    0    0    0    0   89    0   89    0
END
