COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.684   0.471  -0.686  1.00  0.00           C  
HETATM    2  N   UNL     1      -1.538   0.424   0.611  1.00  0.00           N  
HETATM    3  C   UNL     1      -1.111   0.614   1.875  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.238   0.923   2.669  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.314   0.915   1.829  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.839   0.597   0.554  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.747   1.192   2.206  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.248   1.214   4.148  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.455  -0.088   4.923  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.466   0.202   6.401  1.00  0.00           C  
HETATM   11  O   UNL     1      -2.323   1.335   6.795  1.00  0.00           O  
HETATM   12  O   UNL     1      -2.635  -0.797   7.281  1.00  0.00           O  
HETATM   13  N   UNL     1      -2.153  -1.192  -1.654  1.00  0.00           N  
HETATM   14  C   UNL     1      -2.791   0.111  -1.876  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.627  -0.044  -3.126  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.467  -1.296  -3.545  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.558  -2.011  -2.643  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.480   1.016  -3.773  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.217  -1.678  -5.982  1.00  0.00           C  
HETATM   20  O   UNL     1      -2.221  -3.173  -2.768  1.00  0.00           O  
HETATM   21  N   UNL     1       1.698   1.533  -2.613  1.00  0.00           N  
HETATM   22  C   UNL     1       1.291   1.734  -3.880  1.00  0.00           C  
HETATM   23  C   UNL     1       2.158   1.000  -4.808  1.00  0.00           C  
HETATM   24  C   UNL     1       3.095   0.349  -4.127  1.00  0.00           C  
HETATM   25  C   UNL     1       2.863   0.641  -2.663  1.00  0.00           C  
HETATM   26  C   UNL     1       2.008   0.987  -6.307  1.00  0.00           C  
HETATM   27  C   UNL     1       5.417   0.332  -4.999  1.00  0.00           C  
HETATM   28  O   UNL     1       0.343   2.422  -4.208  1.00  0.00           O  
HETATM   29  C   UNL     1       2.571  -0.651  -1.897  1.00  0.00           C  
HETATM   30  C   UNL     1       4.181  -0.521  -4.706  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.120  -1.891  -4.766  1.00  0.00           C  
HETATM   32  N   UNL     1       1.086  -0.052   0.070  1.00  0.00           N  
HETATM   33  C   UNL     1       2.297  -0.326  -0.451  1.00  0.00           C  
HETATM   34  C   UNL     1       3.233  -0.270   0.534  1.00  0.00           C  
HETATM   35  C   UNL     1       2.587   0.060   1.721  1.00  0.00           C  
HETATM   36  C   UNL     1       1.232   0.193   1.422  1.00  0.00           C  
HETATM   37  C   UNL     1       0.211   0.515   2.323  1.00  0.00           C  
HETATM   38  C   UNL     1       4.711  -0.514   0.367  1.00  0.00           C  
HETATM   39  C   UNL     1       3.229   0.236   3.073  1.00  0.00           C  
HETATM   40  C   UNL     1       3.248  -1.105   3.807  1.00  0.00           C  
HETATM   41  C   UNL     1       3.890  -0.929   5.159  1.00  0.00           C  
HETATM   42  O   UNL     1       4.292   0.158   5.500  1.00  0.00           O  
HETATM   43  O   UNL     1       4.016  -1.980   5.984  1.00  0.00           O  
HETATM   44  H   UNL     1      -4.429  -0.310  -0.541  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.185   1.419  -0.882  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.379   1.107   1.322  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.071   0.470   2.956  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.827   2.200   2.614  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.297   1.661   4.437  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.059   1.906   4.376  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.406  -0.535   4.633  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.644  -0.779   4.694  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.642  -0.610   8.229  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.550  -1.420  -0.929  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.034   0.881  -2.023  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.962   0.603  -4.659  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.241   1.350  -3.068  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.854   1.860  -4.060  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.689  -2.108  -6.866  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.061  -0.610  -6.137  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.256  -2.164  -5.811  1.00  0.00           H  
HETATM   62  H   UNL     1       1.294   1.906  -1.814  1.00  0.00           H  
HETATM   63  H   UNL     1       3.736   1.138  -2.242  1.00  0.00           H  
HETATM   64  H   UNL     1       1.157   1.605  -6.593  1.00  0.00           H  
HETATM   65  H   UNL     1       2.914   1.381  -6.767  1.00  0.00           H  
HETATM   66  H   UNL     1       1.843  -0.035  -6.647  1.00  0.00           H  
HETATM   67  H   UNL     1       6.202  -0.297  -5.418  1.00  0.00           H  
HETATM   68  H   UNL     1       5.158   1.113  -5.714  1.00  0.00           H  
HETATM   69  H   UNL     1       5.771   0.788  -4.075  1.00  0.00           H  
HETATM   70  H   UNL     1       1.700  -1.141  -2.331  1.00  0.00           H  
HETATM   71  H   UNL     1       3.433  -1.315  -1.964  1.00  0.00           H  
HETATM   72  H   UNL     1       3.827  -0.977  -5.631  1.00  0.00           H  
HETATM   73  H   UNL     1       4.440  -1.302  -3.992  1.00  0.00           H  
HETATM   74  H   UNL     1      -4.276  -2.959  -4.611  1.00  0.00           H  
HETATM   75  H   UNL     1      -5.081  -1.405  -4.937  1.00  0.00           H  
HETATM   76  H   UNL     1       0.249  -0.031  -0.420  1.00  0.00           H  
HETATM   77  H   UNL     1       0.443   0.687   3.363  1.00  0.00           H  
HETATM   78  H   UNL     1       4.925  -1.571   0.528  1.00  0.00           H  
HETATM   79  H   UNL     1       5.014  -0.232  -0.640  1.00  0.00           H  
HETATM   80  H   UNL     1       5.262   0.082   1.093  1.00  0.00           H  
HETATM   81  H   UNL     1       4.251   0.595   2.946  1.00  0.00           H  
HETATM   82  H   UNL     1       2.659   0.961   3.654  1.00  0.00           H  
HETATM   83  H   UNL     1       2.227  -1.464   3.934  1.00  0.00           H  
HETATM   84  H   UNL     1       3.818  -1.829   3.226  1.00  0.00           H  
HETATM   85  H   UNL     1       4.428  -1.867   6.852  1.00  0.00           H  
CONECT    1    6   14   44   45                                       
CONECT    2    3    6    6                                            
CONECT    3    2    4   37   37                                       
CONECT    4    3    5    5    8                                       
CONECT    5    4    4    6    7                                       
CONECT    6    1    2    2    5                                       
CONECT    7    5   46   47   48                                       
CONECT    8    4    9   49   50                                       
CONECT    9    8   10   51   52                                       
CONECT   10    9   11   11   12                                       
CONECT   11   10   10                                                 
CONECT   12   10   53                                                 
CONECT   13   14   17   54                                            
CONECT   14    1   13   15   55                                       
CONECT   15   14   16   16   18                                       
CONECT   16   15   15   17   31                                       
CONECT   17   13   16   20   20                                       
CONECT   18   15   56   57   58                                       
CONECT   19   31   59   60   61                                       
CONECT   20   17   17                                                 
CONECT   21   22   25   62                                            
CONECT   22   21   23   28   28                                       
CONECT   23   22   24   24   26                                       
CONECT   24   23   23   25   30                                       
CONECT   25   21   24   29   63                                       
CONECT   26   23   64   65   66                                       
CONECT   27   30   67   68   69                                       
CONECT   28   22   22                                                 
CONECT   29   25   33   70   71                                       
CONECT   30   24   27   72   73                                       
CONECT   31   16   19   74   75                                       
CONECT   32   33   36   76                                            
CONECT   33   29   32   34   34                                       
CONECT   34   33   33   35   38                                       
CONECT   35   34   36   36   39                                       
CONECT   36   32   35   35   37                                       
CONECT   37    3    3   36   77                                       
CONECT   38   34   78   79   80                                       
CONECT   39   35   40   81   82                                       
CONECT   40   39   41   83   84                                       
CONECT   41   40   42   42   43                                       
CONECT   42   41   41                                                 
CONECT   43   41   85                                                 
CONECT   44    1                                                      
CONECT   45    1                                                      
CONECT   46    7                                                      
CONECT   47    7                                                      
CONECT   48    7                                                      
CONECT   49    8                                                      
CONECT   50    8                                                      
CONECT   51    9                                                      
CONECT   52    9                                                      
CONECT   53   12                                                      
CONECT   54   13                                                      
CONECT   55   14                                                      
CONECT   56   18                                                      
CONECT   57   18                                                      
CONECT   58   18                                                      
CONECT   59   19                                                      
CONECT   60   19                                                      
CONECT   61   19                                                      
CONECT   62   21                                                      
CONECT   63   25                                                      
CONECT   64   26                                                      
CONECT   65   26                                                      
CONECT   66   26                                                      
CONECT   67   27                                                      
CONECT   68   27                                                      
CONECT   69   27                                                      
CONECT   70   29                                                      
CONECT   71   29                                                      
CONECT   72   30                                                      
CONECT   73   30                                                      
CONECT   74   31                                                      
CONECT   75   31                                                      
CONECT   76   32                                                      
CONECT   77   37                                                      
CONECT   78   38                                                      
CONECT   79   38                                                      
CONECT   80   38                                                      
CONECT   81   39                                                      
CONECT   82   39                                                      
CONECT   83   40                                                      
CONECT   84   40                                                      
CONECT   85   43                                                      
MASTER        0    0    0    0    0    0    0    0   85    0   85    0
END
