COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       6.218   1.867  -0.545  1.00  0.00           O  
HETATM    2  C   UNL     1       5.095   2.258  -0.300  1.00  0.00           C  
HETATM    3  C   UNL     1       4.803   3.640  -0.341  1.00  0.00           C  
HETATM    4  N   UNL     1       5.689   4.653  -0.641  1.00  0.00           N  
HETATM    5  C   UNL     1       5.036   5.832  -0.577  1.00  0.00           C  
HETATM    6  C   UNL     1       3.742   5.604  -0.241  1.00  0.00           C  
HETATM    7  C   UNL     1       3.574   4.226  -0.092  1.00  0.00           C  
HETATM    8  C   UNL     1       4.010   1.269   0.041  1.00  0.00           C  
HETATM    9  C   UNL     1       4.585  -0.149   0.009  1.00  0.00           C  
HETATM   10  C   UNL     1       3.520  -1.142   0.480  1.00  0.00           C  
HETATM   11  C   UNL     1       4.126  -2.545   0.550  1.00  0.00           C  
HETATM   12  C   UNL     1       5.199  -2.583   1.640  1.00  0.00           C  
HETATM   13  C   UNL     1       5.876  -3.955   1.643  1.00  0.00           C  
HETATM   14  C   UNL     1       6.948  -3.993   2.733  1.00  0.00           C  
HETATM   15  C   UNL     1       2.350  -1.140  -0.507  1.00  0.00           C  
HETATM   16  C   UNL     1       2.834  -1.633  -1.872  1.00  0.00           C  
HETATM   17  C   UNL     1       1.248  -2.067   0.009  1.00  0.00           C  
HETATM   18  C   UNL     1       0.018  -1.970  -0.880  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.112  -0.541  -1.410  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.115  -2.943  -2.029  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.376  -2.556  -2.820  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.629  -2.601  -1.947  1.00  0.00           C  
HETATM   23  C   UNL     1       0.771  -1.608   1.412  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.760  -1.358   1.293  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.155  -2.243   0.105  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.400  -1.859  -0.638  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.244  -0.938  -0.185  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.450  -0.603  -0.957  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.237   0.393  -0.562  1.00  0.00           C  
HETATM   30  C   UNL     1      -6.546   0.665  -1.266  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.841   1.268   0.606  1.00  0.00           C  
HETATM   32  C   UNL     1      -5.974   1.246   1.640  1.00  0.00           C  
HETATM   33  O   UNL     1      -5.741   2.253   2.627  1.00  0.00           O  
HETATM   34  C   UNL     1      -7.280   1.523   0.931  1.00  0.00           C  
HETATM   35  C   UNL     1      -8.057   2.503   1.320  1.00  0.00           C  
HETATM   36  C   UNL     1      -7.675   0.645  -0.228  1.00  0.00           C  
HETATM   37  O   UNL     1      -7.885  -0.692   0.233  1.00  0.00           O  
HETATM   38  H   UNL     1       6.626   4.537  -0.862  1.00  0.00           H  
HETATM   39  H   UNL     1       5.474   6.801  -0.764  1.00  0.00           H  
HETATM   40  H   UNL     1       2.977   6.355  -0.114  1.00  0.00           H  
HETATM   41  H   UNL     1       2.659   3.715   0.169  1.00  0.00           H  
HETATM   42  H   UNL     1       3.625   1.482   1.038  1.00  0.00           H  
HETATM   43  H   UNL     1       3.203   1.350  -0.687  1.00  0.00           H  
HETATM   44  H   UNL     1       4.887  -0.396  -1.009  1.00  0.00           H  
HETATM   45  H   UNL     1       5.451  -0.205   0.668  1.00  0.00           H  
HETATM   46  H   UNL     1       3.163  -0.850   1.467  1.00  0.00           H  
HETATM   47  H   UNL     1       3.344  -3.267   0.784  1.00  0.00           H  
HETATM   48  H   UNL     1       4.576  -2.795  -0.411  1.00  0.00           H  
HETATM   49  H   UNL     1       5.943  -1.811   1.445  1.00  0.00           H  
HETATM   50  H   UNL     1       4.737  -2.404   2.611  1.00  0.00           H  
HETATM   51  H   UNL     1       5.131  -4.727   1.838  1.00  0.00           H  
HETATM   52  H   UNL     1       6.338  -4.134   0.672  1.00  0.00           H  
HETATM   53  H   UNL     1       7.693  -3.221   2.537  1.00  0.00           H  
HETATM   54  H   UNL     1       6.486  -3.814   3.704  1.00  0.00           H  
HETATM   55  H   UNL     1       7.430  -4.970   2.734  1.00  0.00           H  
HETATM   56  H   UNL     1       1.958  -0.128  -0.604  1.00  0.00           H  
HETATM   57  H   UNL     1       3.226  -2.646  -1.775  1.00  0.00           H  
HETATM   58  H   UNL     1       2.000  -1.633  -2.574  1.00  0.00           H  
HETATM   59  H   UNL     1       3.619  -0.973  -2.239  1.00  0.00           H  
HETATM   60  H   UNL     1       1.606  -3.096   0.049  1.00  0.00           H  
HETATM   61  H   UNL     1       0.701  -0.337  -2.107  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.067  -0.428  -1.922  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.061   0.161  -0.577  1.00  0.00           H  
HETATM   64  H   UNL     1       0.761  -2.876  -2.673  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.215  -3.958  -1.645  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.253  -1.547  -3.213  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.499  -3.249  -3.652  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.457  -2.136  -2.483  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.879  -3.640  -1.732  1.00  0.00           H  
HETATM   70  H   UNL     1       0.966  -2.388   2.148  1.00  0.00           H  
HETATM   71  H   UNL     1       1.280  -0.688   1.698  1.00  0.00           H  
HETATM   72  H   UNL     1      -1.276  -1.676   2.199  1.00  0.00           H  
HETATM   73  H   UNL     1      -0.963  -0.309   1.078  1.00  0.00           H  
HETATM   74  H   UNL     1      -1.181  -3.293   0.397  1.00  0.00           H  
HETATM   75  H   UNL     1      -3.044  -0.436   0.750  1.00  0.00           H  
HETATM   76  H   UNL     1      -4.697  -1.165  -1.845  1.00  0.00           H  
HETATM   77  H   UNL     1      -6.507   1.644  -1.745  1.00  0.00           H  
HETATM   78  H   UNL     1      -6.723  -0.103  -2.019  1.00  0.00           H  
HETATM   79  H   UNL     1      -3.926   0.885   1.057  1.00  0.00           H  
HETATM   80  H   UNL     1      -4.679   2.289   0.259  1.00  0.00           H  
HETATM   81  H   UNL     1      -6.014   0.267   2.118  1.00  0.00           H  
HETATM   82  H   UNL     1      -6.421   2.295   3.314  1.00  0.00           H  
HETATM   83  H   UNL     1      -8.990   2.688   0.808  1.00  0.00           H  
HETATM   84  H   UNL     1      -7.765   3.127   2.151  1.00  0.00           H  
HETATM   85  H   UNL     1      -8.590   1.026  -0.681  1.00  0.00           H  
HETATM   86  H   UNL     1      -8.580  -0.773   0.900  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    8    1    1    3                                       
CONECT    3    2    7    7    4                                       
CONECT    4    3    5   38                                            
CONECT    5    6    6    4   39                                       
CONECT    6    7    5    5   40                                       
CONECT    7    3    3    6   41                                       
CONECT    8    2    9   42   43                                       
CONECT    9    8   10   44   45                                       
CONECT   10   15    9   11   46                                       
CONECT   11   10   12   47   48                                       
CONECT   12   13   11   49   50                                       
CONECT   13   14   12   51   52                                       
CONECT   14   13   53   54   55                                       
CONECT   15   17   10   16   56                                       
CONECT   16   15   57   58   59                                       
CONECT   17   23   18   15   60                                       
CONECT   18   19   25   17   20                                       
CONECT   19   18   61   62   63                                       
CONECT   20   18   21   64   65                                       
CONECT   21   22   20   66   67                                       
CONECT   22   26   21   68   69                                       
CONECT   23   24   17   70   71                                       
CONECT   24   25   23   72   73                                       
CONECT   25   26   24   18   74                                       
CONECT   26   27   27   25   22                                       
CONECT   27   28   26   26   75                                       
CONECT   28   29   29   27   76                                       
CONECT   29   30   31   28   28                                       
CONECT   30   36   29   77   78                                       
CONECT   31   32   29   79   80                                       
CONECT   32   34   33   31   81                                       
CONECT   33   32   82                                                 
CONECT   34   35   35   36   32                                       
CONECT   35   34   34   83   84                                       
CONECT   36   37   34   30   85                                       
CONECT   37   36   86                                                 
CONECT   38    4                                                      
CONECT   39    5                                                      
CONECT   40    6                                                      
CONECT   41    7                                                      
CONECT   42    8                                                      
CONECT   43    8                                                      
CONECT   44    9                                                      
CONECT   45    9                                                      
CONECT   46   10                                                      
CONECT   47   11                                                      
CONECT   48   11                                                      
CONECT   49   12                                                      
CONECT   50   12                                                      
CONECT   51   13                                                      
CONECT   52   13                                                      
CONECT   53   14                                                      
CONECT   54   14                                                      
CONECT   55   14                                                      
CONECT   56   15                                                      
CONECT   57   16                                                      
CONECT   58   16                                                      
CONECT   59   16                                                      
CONECT   60   17                                                      
CONECT   61   19                                                      
CONECT   62   19                                                      
CONECT   63   19                                                      
CONECT   64   20                                                      
CONECT   65   20                                                      
CONECT   66   21                                                      
CONECT   67   21                                                      
CONECT   68   22                                                      
CONECT   69   22                                                      
CONECT   70   23                                                      
CONECT   71   23                                                      
CONECT   72   24                                                      
CONECT   73   24                                                      
CONECT   74   25                                                      
CONECT   75   27                                                      
CONECT   76   28                                                      
CONECT   77   30                                                      
CONECT   78   30                                                      
CONECT   79   31                                                      
CONECT   80   31                                                      
CONECT   81   32                                                      
CONECT   82   33                                                      
CONECT   83   35                                                      
CONECT   84   35                                                      
CONECT   85   36                                                      
CONECT   86   37                                                      
MASTER        0    0    0    0    0    0    0    0   86    0   86    0
END
