COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.858   2.241   0.120  1.00  0.00           C  
HETATM    2  C   UNL     1      -7.137   2.083  -0.427  1.00  0.00           C  
HETATM    3  C   UNL     1      -8.169   2.925  -0.021  1.00  0.00           C  
HETATM    4  C   UNL     1      -7.927   3.912   0.919  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.661   4.069   1.459  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.631   3.240   1.072  1.00  0.00           C  
HETATM    7  O   UNL     1      -7.371   1.114  -1.348  1.00  0.00           O  
HETATM    8  O   UNL     1      -9.414   2.778  -0.547  1.00  0.00           O  
HETATM    9  C   UNL     1      -4.757   1.355  -0.303  1.00  0.00           C  
HETATM   10  O   UNL     1      -4.958   0.488  -1.131  1.00  0.00           O  
HETATM   11  N   UNL     1      -3.528   1.507   0.229  1.00  0.00           N  
HETATM   12  C   UNL     1      -2.434   0.627  -0.190  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.156   1.009   0.560  1.00  0.00           C  
HETATM   14  N   UNL     1      -0.060   0.127   0.140  1.00  0.00           N  
HETATM   15  C   UNL     1       1.229   0.607   0.654  1.00  0.00           C  
HETATM   16  C   UNL     1       1.692   1.809  -0.172  1.00  0.00           C  
HETATM   17  N   UNL     1       3.017   2.236   0.287  1.00  0.00           N  
HETATM   18  C   UNL     1       3.628   3.284  -0.300  1.00  0.00           C  
HETATM   19  O   UNL     1       3.080   3.875  -1.210  1.00  0.00           O  
HETATM   20  C   UNL     1      -0.310  -1.259   0.557  1.00  0.00           C  
HETATM   21  C   UNL     1       0.602  -2.202  -0.231  1.00  0.00           C  
HETATM   22  N   UNL     1       0.400  -3.577   0.232  1.00  0.00           N  
HETATM   23  C   UNL     1       1.102  -4.585  -0.324  1.00  0.00           C  
HETATM   24  N   UNL     1       5.576   4.787  -0.430  1.00  0.00           N  
HETATM   25  C   UNL     1       6.793   5.194  -0.022  1.00  0.00           C  
HETATM   26  C   UNL     1       7.450   4.518   1.029  1.00  0.00           C  
HETATM   27  C   UNL     1       6.843   3.455   1.625  1.00  0.00           C  
HETATM   28  C   UNL     1       5.574   3.049   1.183  1.00  0.00           C  
HETATM   29  O   UNL     1       4.925   5.471  -1.486  1.00  0.00           O  
HETATM   30  O   UNL     1       7.329   6.148  -0.562  1.00  0.00           O  
HETATM   31  O   UNL     1       1.903  -4.352  -1.209  1.00  0.00           O  
HETATM   32  C   UNL     1       0.899  -5.973   0.144  1.00  0.00           C  
HETATM   33  N   UNL     1       1.615  -6.993  -0.424  1.00  0.00           N  
HETATM   34  C   UNL     1       1.443  -8.263  -0.012  1.00  0.00           C  
HETATM   35  C   UNL     1       0.519  -8.555   1.016  1.00  0.00           C  
HETATM   36  C   UNL     1      -0.195  -7.544   1.583  1.00  0.00           C  
HETATM   37  C   UNL     1       0.004  -6.227   1.140  1.00  0.00           C  
HETATM   38  O   UNL     1       2.543  -6.710  -1.455  1.00  0.00           O  
HETATM   39  O   UNL     1       2.086  -9.163  -0.526  1.00  0.00           O  
HETATM   40  C   UNL     1       4.964   3.715   0.163  1.00  0.00           C  
HETATM   41  H   UNL     1      -8.729   4.564   1.232  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.481   4.842   2.191  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.648   3.364   1.500  1.00  0.00           H  
HETATM   44  H   UNL     1      -7.644   0.268  -0.968  1.00  0.00           H  
HETATM   45  H   UNL     1      -9.981   2.170  -0.053  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.368   2.199   0.890  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.693  -0.407   0.036  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.272   0.735  -1.262  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.898   2.043   0.334  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.319   0.901   1.633  1.00  0.00           H  
HETATM   51  H   UNL     1       1.116   0.905   1.697  1.00  0.00           H  
HETATM   52  H   UNL     1       1.969  -0.190   0.583  1.00  0.00           H  
HETATM   53  H   UNL     1       1.745   1.528  -1.224  1.00  0.00           H  
HETATM   54  H   UNL     1       0.984   2.628  -0.050  1.00  0.00           H  
HETATM   55  H   UNL     1       3.454   1.764   1.013  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.103  -1.361   1.623  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.351  -1.515   0.363  1.00  0.00           H  
HETATM   58  H   UNL     1       0.362  -2.137  -1.292  1.00  0.00           H  
HETATM   59  H   UNL     1       1.642  -1.915  -0.076  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.238  -3.762   0.938  1.00  0.00           H  
HETATM   61  H   UNL     1       8.426   4.841   1.358  1.00  0.00           H  
HETATM   62  H   UNL     1       7.334   2.928   2.430  1.00  0.00           H  
HETATM   63  H   UNL     1       5.083   2.206   1.648  1.00  0.00           H  
HETATM   64  H   UNL     1       5.432   6.211  -1.847  1.00  0.00           H  
HETATM   65  H   UNL     1       0.379  -9.573   1.348  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.905  -7.753   2.369  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.556  -5.417   1.583  1.00  0.00           H  
HETATM   68  H   UNL     1       3.002  -7.489  -1.796  1.00  0.00           H  
CONECT    1    2    2    9    6                                       
CONECT    2    1    1    7    3                                       
CONECT    3    2    8    4    4                                       
CONECT    4    3    3    5   41                                       
CONECT    5    4    6    6   42                                       
CONECT    6    1    5    5   43                                       
CONECT    7    2   44                                                 
CONECT    8    3   45                                                 
CONECT    9    1   10   10   11                                       
CONECT   10    9    9                                                 
CONECT   11    9   12   46                                            
CONECT   12   11   13   47   48                                       
CONECT   13   12   14   49   50                                       
CONECT   14   13   15   20                                            
CONECT   15   14   16   51   52                                       
CONECT   16   15   17   53   54                                       
CONECT   17   16   18   55                                            
CONECT   18   17   19   19   40                                       
CONECT   19   18   18                                                 
CONECT   20   14   21   56   57                                       
CONECT   21   20   22   58   59                                       
CONECT   22   21   23   60                                            
CONECT   23   22   32   31   31                                       
CONECT   24   25   40   29                                            
CONECT   25   24   26   30   30                                       
CONECT   26   25   27   27   61                                       
CONECT   27   26   26   28   62                                       
CONECT   28   27   40   40   63                                       
CONECT   29   24   64                                                 
CONECT   30   25   25                                                 
CONECT   31   23   23                                                 
CONECT   32   23   33   37   37                                       
CONECT   33   32   34   38                                            
CONECT   34   33   39   39   35                                       
CONECT   35   34   36   36   65                                       
CONECT   36   35   35   37   66                                       
CONECT   37   32   32   36   67                                       
CONECT   38   33   68                                                 
CONECT   39   34   34                                                 
CONECT   40   18   24   28   28                                       
CONECT   41    4                                                      
CONECT   42    5                                                      
CONECT   43    6                                                      
CONECT   44    7                                                      
CONECT   45    8                                                      
CONECT   46   11                                                      
CONECT   47   12                                                      
CONECT   48   12                                                      
CONECT   49   13                                                      
CONECT   50   13                                                      
CONECT   51   15                                                      
CONECT   52   15                                                      
CONECT   53   16                                                      
CONECT   54   16                                                      
CONECT   55   17                                                      
CONECT   56   20                                                      
CONECT   57   20                                                      
CONECT   58   21                                                      
CONECT   59   21                                                      
CONECT   60   22                                                      
CONECT   61   26                                                      
CONECT   62   27                                                      
CONECT   63   28                                                      
CONECT   64   29                                                      
CONECT   65   35                                                      
CONECT   66   36                                                      
CONECT   67   37                                                      
CONECT   68   38                                                      
MASTER        0    0    0    0    0    0    0    0   68    0   68    0
END
