COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.218   1.921  -0.302  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.817  -3.608   0.078  1.00  0.00           C  
HETATM    3  C   UNL     1       1.566   0.714   0.273  1.00  0.00           C  
HETATM    4  C   UNL     1       2.828   0.174   0.055  1.00  0.00           C  
HETATM    5  C   UNL     1       3.675  -4.438   0.725  1.00  0.00           C  
HETATM    6  C   UNL     1       3.734   0.845  -0.757  1.00  0.00           C  
HETATM    7  C   UNL     1       5.126  -0.555  -2.086  1.00  0.00           C  
HETATM    8  C   UNL     1       3.189  -2.167  -0.203  1.00  0.00           C  
HETATM    9  C   UNL     1       2.602  -3.360   0.556  1.00  0.00           C  
HETATM   10  C   UNL     1       0.439  -4.414   0.623  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.827  -4.433  -0.191  1.00  0.00           C  
HETATM   12  N   UNL     1      -2.528   2.052  -0.385  1.00  0.00           N  
HETATM   13  C   UNL     1       2.118   2.583  -1.118  1.00  0.00           C  
HETATM   14  C   UNL     1       3.825   3.943  -2.714  1.00  0.00           C  
HETATM   15  O   UNL     1       4.262   2.710  -2.139  1.00  0.00           O  
HETATM   16  C   UNL     1       3.377   2.053  -1.341  1.00  0.00           C  
HETATM   17  O   UNL     1       4.975   0.325  -0.971  1.00  0.00           O  
HETATM   18  O   UNL     1       3.171  -1.007   0.631  1.00  0.00           O  
HETATM   19  O   UNL     1       3.162  -5.499   1.532  1.00  0.00           O  
HETATM   20  O   UNL     1       1.501  -3.894  -0.179  1.00  0.00           O  
HETATM   21  C   UNL     1      -3.063  -3.697  -0.759  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.775  -5.021  -0.452  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.025  -2.552  -0.487  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.044  -3.006   0.562  1.00  0.00           C  
HETATM   25  O   UNL     1      -3.398  -1.348  -0.033  1.00  0.00           O  
HETATM   26  C   UNL     1      -3.325  -0.268  -0.787  1.00  0.00           C  
HETATM   27  O   UNL     1      -3.059  -0.382  -1.954  1.00  0.00           O  
HETATM   28  C   UNL     1      -3.638   1.109  -0.280  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.880   1.596  -1.031  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.179   3.049  -0.663  1.00  0.00           C  
HETATM   31  C   UNL     1      -3.995   3.907  -1.115  1.00  0.00           C  
HETATM   32  C   UNL     1      -2.762   3.500  -0.312  1.00  0.00           C  
HETATM   33  C   UNL     1      -1.245   1.628  -0.487  1.00  0.00           C  
HETATM   34  O   UNL     1      -0.979   0.522  -0.904  1.00  0.00           O  
HETATM   35  C   UNL     1      -0.131   2.539  -0.035  1.00  0.00           C  
HETATM   36  C   UNL     1      -0.261   2.787   1.471  1.00  0.00           C  
HETATM   37  C   UNL     1       0.772   3.828   1.907  1.00  0.00           C  
HETATM   38  C   UNL     1       0.642   4.076   3.411  1.00  0.00           C  
HETATM   39  C   UNL     1       0.886   2.768   4.167  1.00  0.00           C  
HETATM   40  C   UNL     1      -0.147   1.727   3.731  1.00  0.00           C  
HETATM   41  C   UNL     1      -0.017   1.479   2.227  1.00  0.00           C  
HETATM   42  H   UNL     1      -1.735  -2.900   0.880  1.00  0.00           H  
HETATM   43  H   UNL     1       0.862   0.183   0.897  1.00  0.00           H  
HETATM   44  H   UNL     1       3.954  -4.828  -0.254  1.00  0.00           H  
HETATM   45  H   UNL     1       4.552  -4.005   1.207  1.00  0.00           H  
HETATM   46  H   UNL     1       4.868  -0.026  -3.004  1.00  0.00           H  
HETATM   47  H   UNL     1       6.160  -0.896  -2.142  1.00  0.00           H  
HETATM   48  H   UNL     1       4.466  -1.414  -1.964  1.00  0.00           H  
HETATM   49  H   UNL     1       4.219  -2.394  -0.488  1.00  0.00           H  
HETATM   50  H   UNL     1       2.599  -1.981  -1.101  1.00  0.00           H  
HETATM   51  H   UNL     1       2.257  -3.031   1.538  1.00  0.00           H  
HETATM   52  H   UNL     1       0.302  -3.789   1.505  1.00  0.00           H  
HETATM   53  H   UNL     1       0.683  -5.431   0.933  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.924  -5.131  -1.011  1.00  0.00           H  
HETATM   55  H   UNL     1       1.842   3.521  -1.576  1.00  0.00           H  
HETATM   56  H   UNL     1       2.948   3.763  -3.336  1.00  0.00           H  
HETATM   57  H   UNL     1       3.570   4.644  -1.919  1.00  0.00           H  
HETATM   58  H   UNL     1       4.624   4.362  -3.326  1.00  0.00           H  
HETATM   59  H   UNL     1       3.790  -6.219   1.681  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.784  -3.687  -1.811  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.038  -5.055   0.605  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.680  -5.095  -1.054  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.112  -5.853  -0.688  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.567  -2.333  -1.411  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.524  -3.278   1.480  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.741  -2.193   0.767  1.00  0.00           H  
HETATM   67  H   UNL     1      -5.593  -3.869   0.186  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.912   1.021   0.789  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.712   1.521  -2.105  1.00  0.00           H  
HETATM   70  H   UNL     1      -5.736   0.974  -0.758  1.00  0.00           H  
HETATM   71  H   UNL     1      -6.087   3.380  -1.169  1.00  0.00           H  
HETATM   72  H   UNL     1      -5.304   3.137   0.415  1.00  0.00           H  
HETATM   73  H   UNL     1      -3.814   3.746  -2.177  1.00  0.00           H  
HETATM   74  H   UNL     1      -4.222   4.957  -0.938  1.00  0.00           H  
HETATM   75  H   UNL     1      -2.904   3.789   0.735  1.00  0.00           H  
HETATM   76  H   UNL     1      -1.894   4.031  -0.711  1.00  0.00           H  
HETATM   77  H   UNL     1      -0.191   3.490  -0.564  1.00  0.00           H  
HETATM   78  H   UNL     1      -1.263   3.154   1.694  1.00  0.00           H  
HETATM   79  H   UNL     1       1.774   3.461   1.684  1.00  0.00           H  
HETATM   80  H   UNL     1       0.598   4.760   1.369  1.00  0.00           H  
HETATM   81  H   UNL     1       1.378   4.818   3.722  1.00  0.00           H  
HETATM   82  H   UNL     1      -0.360   4.443   3.634  1.00  0.00           H  
HETATM   83  H   UNL     1       1.888   2.401   3.944  1.00  0.00           H  
HETATM   84  H   UNL     1       0.794   2.945   5.238  1.00  0.00           H  
HETATM   85  H   UNL     1       0.027   0.795   4.269  1.00  0.00           H  
HETATM   86  H   UNL     1      -1.149   2.094   3.953  1.00  0.00           H  
HETATM   87  H   UNL     1      -0.753   0.738   1.916  1.00  0.00           H  
HETATM   88  H   UNL     1       0.984   1.112   2.004  1.00  0.00           H  
CONECT    1   35    3    3   13                                       
CONECT    2   11   11   21   42                                       
CONECT    3    1    1    4   43                                       
CONECT    4    3   18    6    6                                       
CONECT    5    9   19   44   45                                       
CONECT    6    4    4   16   17                                       
CONECT    7   17   46   47   48                                       
CONECT    8   18    9   49   50                                       
CONECT    9   20    8    5   51                                       
CONECT   10   11   20   52   53                                       
CONECT   11    2    2   10   54                                       
CONECT   12   28   32   33                                            
CONECT   13    1   16   16   55                                       
CONECT   14   15   56   57   58                                       
CONECT   15   16   14                                                 
CONECT   16   13   13    6   15                                       
CONECT   17    6    7                                                 
CONECT   18    4    8                                                 
CONECT   19    5   59                                                 
CONECT   20   10    9                                                 
CONECT   21   23    2   22   60                                       
CONECT   22   21   61   62   63                                       
CONECT   23   25   21   24   64                                       
CONECT   24   23   65   66   67                                       
CONECT   25   26   23                                                 
CONECT   26   28   27   27   25                                       
CONECT   27   26   26                                                 
CONECT   28   29   12   26   68                                       
CONECT   29   30   28   69   70                                       
CONECT   30   29   31   71   72                                       
CONECT   31   30   32   73   74                                       
CONECT   32   31   12   75   76                                       
CONECT   33   12   34   34   35                                       
CONECT   34   33   33                                                 
CONECT   35   33   36    1   77                                       
CONECT   36   37   35   41   78                                       
CONECT   37   38   36   79   80                                       
CONECT   38   37   39   81   82                                       
CONECT   39   38   40   83   84                                       
CONECT   40   39   41   85   86                                       
CONECT   41   36   40   87   88                                       
CONECT   42    2                                                      
CONECT   43    3                                                      
CONECT   44    5                                                      
CONECT   45    5                                                      
CONECT   46    7                                                      
CONECT   47    7                                                      
CONECT   48    7                                                      
CONECT   49    8                                                      
CONECT   50    8                                                      
CONECT   51    9                                                      
CONECT   52   10                                                      
CONECT   53   10                                                      
CONECT   54   11                                                      
CONECT   55   13                                                      
CONECT   56   14                                                      
CONECT   57   14                                                      
CONECT   58   14                                                      
CONECT   59   19                                                      
CONECT   60   21                                                      
CONECT   61   22                                                      
CONECT   62   22                                                      
CONECT   63   22                                                      
CONECT   64   23                                                      
CONECT   65   24                                                      
CONECT   66   24                                                      
CONECT   67   24                                                      
CONECT   68   28                                                      
CONECT   69   29                                                      
CONECT   70   29                                                      
CONECT   71   30                                                      
CONECT   72   30                                                      
CONECT   73   31                                                      
CONECT   74   31                                                      
CONECT   75   32                                                      
CONECT   76   32                                                      
CONECT   77   35                                                      
CONECT   78   36                                                      
CONECT   79   37                                                      
CONECT   80   37                                                      
CONECT   81   38                                                      
CONECT   82   38                                                      
CONECT   83   39                                                      
CONECT   84   39                                                      
CONECT   85   40                                                      
CONECT   86   40                                                      
CONECT   87   41                                                      
CONECT   88   41                                                      
MASTER        0    0    0    0    0    0    0    0   88    0   88    0
END
