COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.406   1.421  -1.603  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.279   0.620  -0.300  1.00  0.00           C  
HETATM    3  C   UNL     1       0.417   1.504   0.738  1.00  0.00           C  
HETATM    4  O   UNL     1      -0.086   2.840   0.691  1.00  0.00           O  
HETATM    5  C   UNL     1       1.909   1.556   0.423  1.00  0.00           C  
HETATM    6  O   UNL     1       2.444   2.615   0.248  1.00  0.00           O  
HETATM    7  C   UNL     1       2.600   0.220   0.368  1.00  0.00           C  
HETATM    8  C   UNL     1       4.108   0.275   0.388  1.00  0.00           C  
HETATM    9  C   UNL     1       4.570   0.742   1.788  1.00  0.00           C  
HETATM   10  C   UNL     1       4.725   1.214  -0.646  1.00  0.00           C  
HETATM   11  C   UNL     1       4.657  -1.126   0.182  1.00  0.00           C  
HETATM   12  O   UNL     1       5.543  -1.546   0.886  1.00  0.00           O  
HETATM   13  C   UNL     1       4.065  -1.976  -0.917  1.00  0.00           C  
HETATM   14  C   UNL     1       2.547  -2.016  -0.737  1.00  0.00           C  
HETATM   15  C   UNL     1       1.972  -0.590  -0.764  1.00  0.00           C  
HETATM   16  C   UNL     1       2.253   0.011  -2.136  1.00  0.00           C  
HETATM   17  C   UNL     1       0.470  -0.687  -0.505  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.210  -1.468  -1.599  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.509  -1.488  -1.641  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.155  -2.282  -2.743  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.397  -0.777  -0.674  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.555  -0.133  -1.459  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.981  -1.786   0.298  1.00  0.00           C  
HETATM   24  O   UNL     1      -3.757  -2.683   0.030  1.00  0.00           O  
HETATM   25  C   UNL     1      -2.432  -1.467   1.668  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.418  -2.531   2.097  1.00  0.00           C  
HETATM   27  O   UNL     1      -3.505  -1.428   2.620  1.00  0.00           O  
HETATM   28  C   UNL     1      -1.773  -0.106   1.600  1.00  0.00           C  
HETATM   29  O   UNL     1      -1.398   0.536   2.555  1.00  0.00           O  
HETATM   30  C   UNL     1      -1.706   0.298   0.153  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.533   1.555  -0.013  1.00  0.00           C  
HETATM   32  O   UNL     1      -3.078   2.051   0.945  1.00  0.00           O  
HETATM   33  O   UNL     1      -2.662   2.119  -1.224  1.00  0.00           O  
HETATM   34  C   UNL     1      -3.470   3.322  -1.309  1.00  0.00           C  
HETATM   35  H   UNL     1       0.576   1.517  -2.067  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.081   0.903  -2.284  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.802   2.413  -1.383  1.00  0.00           H  
HETATM   38  H   UNL     1       0.300   1.094   1.737  1.00  0.00           H  
HETATM   39  H   UNL     1       0.326   3.437   1.331  1.00  0.00           H  
HETATM   40  H   UNL     1       2.298  -0.311   1.313  1.00  0.00           H  
HETATM   41  H   UNL     1       4.216   0.038   2.541  1.00  0.00           H  
HETATM   42  H   UNL     1       5.659   0.786   1.815  1.00  0.00           H  
HETATM   43  H   UNL     1       4.162   1.731   1.994  1.00  0.00           H  
HETATM   44  H   UNL     1       4.455   2.243  -0.409  1.00  0.00           H  
HETATM   45  H   UNL     1       5.810   1.110  -0.629  1.00  0.00           H  
HETATM   46  H   UNL     1       4.351   0.959  -1.637  1.00  0.00           H  
HETATM   47  H   UNL     1       4.337  -1.578  -1.891  1.00  0.00           H  
HETATM   48  H   UNL     1       4.463  -2.994  -0.838  1.00  0.00           H  
HETATM   49  H   UNL     1       2.097  -2.595  -1.543  1.00  0.00           H  
HETATM   50  H   UNL     1       2.304  -2.474   0.223  1.00  0.00           H  
HETATM   51  H   UNL     1       1.571  -0.422  -2.868  1.00  0.00           H  
HETATM   52  H   UNL     1       2.107   1.090  -2.097  1.00  0.00           H  
HETATM   53  H   UNL     1       3.282  -0.206  -2.424  1.00  0.00           H  
HETATM   54  H   UNL     1       0.362  -1.281   0.430  1.00  0.00           H  
HETATM   55  H   UNL     1       0.357  -2.007  -2.332  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.383  -2.738  -3.363  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.780  -3.063  -2.309  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.770  -1.622  -3.354  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.183  -0.914  -1.887  1.00  0.00           H  
HETATM   60  H   UNL     1      -4.151   0.484  -0.786  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.151   0.488  -2.258  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.609  -2.576   1.368  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.013  -2.273   3.075  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.912  -3.501   2.152  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.979  -2.266   2.713  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.486   3.102  -0.979  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.040   4.095  -0.671  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.492   3.674  -2.340  1.00  0.00           H  
CONECT    1    2   35   36   37                                       
CONECT    2    1   17    3   30                                       
CONECT    3    5    2    4   38                                       
CONECT    4    3   39                                                 
CONECT    5    6    6    7    3                                       
CONECT    6    5    5                                                 
CONECT    7   15    8    5   40                                       
CONECT    8   10   11    7    9                                       
CONECT    9    8   41   42   43                                       
CONECT   10    8   44   45   46                                       
CONECT   11   13    8   12   12                                       
CONECT   12   11   11                                                 
CONECT   13   14   11   47   48                                       
CONECT   14   13   15   49   50                                       
CONECT   15   16   14    7   17                                       
CONECT   16   15   51   52   53                                       
CONECT   17   15   18    2   54                                       
CONECT   18   17   19   19   55                                       
CONECT   19   20   18   18   21                                       
CONECT   20   19   56   57   58                                       
CONECT   21   19   22   30   23                                       
CONECT   22   21   59   60   61                                       
CONECT   23   21   24   24   25                                       
CONECT   24   23   23                                                 
CONECT   25   23   28   26   27                                       
CONECT   26   25   62   63   64                                       
CONECT   27   25   65                                                 
CONECT   28   30   29   29   25                                       
CONECT   29   28   28                                                 
CONECT   30    2   21   31   28                                       
CONECT   31   30   32   32   33                                       
CONECT   32   31   31                                                 
CONECT   33   31   34                                                 
CONECT   34   33   66   67   68                                       
CONECT   35    1                                                      
CONECT   36    1                                                      
CONECT   37    1                                                      
CONECT   38    3                                                      
CONECT   39    4                                                      
CONECT   40    7                                                      
CONECT   41    9                                                      
CONECT   42    9                                                      
CONECT   43    9                                                      
CONECT   44   10                                                      
CONECT   45   10                                                      
CONECT   46   10                                                      
CONECT   47   13                                                      
CONECT   48   13                                                      
CONECT   49   14                                                      
CONECT   50   14                                                      
CONECT   51   16                                                      
CONECT   52   16                                                      
CONECT   53   16                                                      
CONECT   54   17                                                      
CONECT   55   18                                                      
CONECT   56   20                                                      
CONECT   57   20                                                      
CONECT   58   20                                                      
CONECT   59   22                                                      
CONECT   60   22                                                      
CONECT   61   22                                                      
CONECT   62   26                                                      
CONECT   63   26                                                      
CONECT   64   26                                                      
CONECT   65   27                                                      
CONECT   66   34                                                      
CONECT   67   34                                                      
CONECT   68   34                                                      
MASTER        0    0    0    0    0    0    0    0   68    0   68    0
END
