COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.085   0.466   1.381  1.00  0.00           C  
HETATM    2  O   UNL     1       1.905   1.665   1.365  1.00  0.00           O  
HETATM    3  N   UNL     1       1.634  -0.268   2.417  1.00  0.00           N  
HETATM    4  C   UNL     1       0.925   0.380   3.522  1.00  0.00           C  
HETATM    5  C   UNL     1       0.523  -0.670   4.558  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.217   0.007   5.713  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.602  -0.999   6.705  1.00  0.00           N  
HETATM    8  C   UNL     1      -1.283  -0.622   7.838  1.00  0.00           C  
HETATM    9  N   UNL     1      -1.586   0.630   8.030  1.00  0.00           N  
HETATM   10  N   UNL     1      -1.644  -1.567   8.769  1.00  0.00           N  
HETATM   11  N   UNL     1       2.005  -0.114  -0.978  1.00  0.00           N  
HETATM   12  C   UNL     1       2.815  -0.202   0.244  1.00  0.00           C  
HETATM   13  C   UNL     1       4.152   0.505   0.006  1.00  0.00           C  
HETATM   14  C   UNL     1       4.824  -0.086  -1.235  1.00  0.00           C  
HETATM   15  C   UNL     1       3.932   0.141  -2.457  1.00  0.00           C  
HETATM   16  C   UNL     1       2.592  -0.569  -2.247  1.00  0.00           C  
HETATM   17  O   UNL     1       0.241   0.653   0.126  1.00  0.00           O  
HETATM   18  C   UNL     1       0.752   0.378  -0.939  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.015   0.587  -2.219  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.317  -0.768  -2.860  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.039   0.116  -5.180  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.011  -0.552  -4.206  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.454  -1.902  -4.774  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.149  -1.686  -6.120  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.177  -1.017  -7.094  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.734   0.332  -6.526  1.00  0.00           C  
HETATM   27  N   UNL     1      -1.276   1.281  -1.925  1.00  0.00           N  
HETATM   28  C   UNL     1      -2.106   0.342  -1.159  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.452   0.966  -0.890  1.00  0.00           C  
HETATM   30  O   UNL     1      -3.694   2.078  -1.295  1.00  0.00           O  
HETATM   31  O   UNL     1      -4.381   0.285  -0.200  1.00  0.00           O  
HETATM   32  H   UNL     1       1.778  -1.227   2.430  1.00  0.00           H  
HETATM   33  H   UNL     1       0.031   0.874   3.140  1.00  0.00           H  
HETATM   34  H   UNL     1       1.577   1.119   3.988  1.00  0.00           H  
HETATM   35  H   UNL     1       1.416  -1.164   4.940  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.129  -1.409   4.092  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.110   0.501   5.331  1.00  0.00           H  
HETATM   38  H   UNL     1       0.435   0.746   6.179  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.376  -1.931   6.562  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.331   1.297   7.373  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.125  -1.301   9.568  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.422  -2.500   8.624  1.00  0.00           H  
HETATM   43  H   UNL     1       2.993  -1.248   0.490  1.00  0.00           H  
HETATM   44  H   UNL     1       3.978   1.570  -0.147  1.00  0.00           H  
HETATM   45  H   UNL     1       4.799   0.363   0.872  1.00  0.00           H  
HETATM   46  H   UNL     1       5.787   0.398  -1.392  1.00  0.00           H  
HETATM   47  H   UNL     1       4.975  -1.156  -1.090  1.00  0.00           H  
HETATM   48  H   UNL     1       3.760   1.210  -2.587  1.00  0.00           H  
HETATM   49  H   UNL     1       4.421  -0.259  -3.345  1.00  0.00           H  
HETATM   50  H   UNL     1       1.917  -0.329  -3.068  1.00  0.00           H  
HETATM   51  H   UNL     1       2.752  -1.647  -2.207  1.00  0.00           H  
HETATM   52  H   UNL     1       0.579   1.190  -2.905  1.00  0.00           H  
HETATM   53  H   UNL     1       0.614  -1.311  -3.015  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.968  -1.344  -2.203  1.00  0.00           H  
HETATM   55  H   UNL     1       0.275   1.078  -4.776  1.00  0.00           H  
HETATM   56  H   UNL     1       0.832  -0.522  -5.320  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.883   0.086  -4.067  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.582  -2.541  -4.913  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.147  -2.378  -4.080  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.021  -1.047  -5.980  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.464  -2.648  -6.524  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.672  -0.864  -8.053  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.305  -1.656  -7.233  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.606   0.971  -6.387  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.041   0.808  -7.220  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.050   2.043  -1.303  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.239  -0.575  -1.731  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.616   0.113  -0.212  1.00  0.00           H  
HETATM   69  H   UNL     1      -5.244   0.685  -0.027  1.00  0.00           H  
CONECT    1    2    2    3   12                                       
CONECT    2    1    1                                                 
CONECT    3    1    4   32                                            
CONECT    4    3    5   33   34                                       
CONECT    5    4    6   35   36                                       
CONECT    6    5    7   37   38                                       
CONECT    7    6    8   39                                            
CONECT    8    7    9    9   10                                       
CONECT    9    8    8   40                                            
CONECT   10    8   41   42                                            
CONECT   11   12   16   18                                            
CONECT   12    1   11   13   43                                       
CONECT   13   12   14   44   45                                       
CONECT   14   13   15   46   47                                       
CONECT   15   14   16   48   49                                       
CONECT   16   11   15   50   51                                       
CONECT   17   18   18                                                 
CONECT   18   11   17   17   19                                       
CONECT   19   18   20   27   52                                       
CONECT   20   19   22   53   54                                       
CONECT   21   22   26   55   56                                       
CONECT   22   20   21   23   57                                       
CONECT   23   22   24   58   59                                       
CONECT   24   23   25   60   61                                       
CONECT   25   24   26   62   63                                       
CONECT   26   21   25   64   65                                       
CONECT   27   19   28   66                                            
CONECT   28   27   29   67   68                                       
CONECT   29   28   30   30   31                                       
CONECT   30   29   29                                                 
CONECT   31   29   69                                                 
CONECT   32    3                                                      
CONECT   33    4                                                      
CONECT   34    4                                                      
CONECT   35    5                                                      
CONECT   36    5                                                      
CONECT   37    6                                                      
CONECT   38    6                                                      
CONECT   39    7                                                      
CONECT   40    9                                                      
CONECT   41   10                                                      
CONECT   42   10                                                      
CONECT   43   12                                                      
CONECT   44   13                                                      
CONECT   45   13                                                      
CONECT   46   14                                                      
CONECT   47   14                                                      
CONECT   48   15                                                      
CONECT   49   15                                                      
CONECT   50   16                                                      
CONECT   51   16                                                      
CONECT   52   19                                                      
CONECT   53   20                                                      
CONECT   54   20                                                      
CONECT   55   21                                                      
CONECT   56   21                                                      
CONECT   57   22                                                      
CONECT   58   23                                                      
CONECT   59   23                                                      
CONECT   60   24                                                      
CONECT   61   24                                                      
CONECT   62   25                                                      
CONECT   63   25                                                      
CONECT   64   26                                                      
CONECT   65   26                                                      
CONECT   66   27                                                      
CONECT   67   28                                                      
CONECT   68   28                                                      
CONECT   69   31                                                      
MASTER        0    0    0    0    0    0    0    0   69    0   69    0
END
