COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNK     1       2.164   0.984  -0.479  1.00  0.00           O  
HETATM    2  C   UNK     1       3.573   0.804  -0.325  1.00  0.00           C  
HETATM    3  C   UNK     1       4.054   1.585   0.901  1.00  0.00           C  
HETATM    4  N   UNK     1       5.488   1.355   1.096  1.00  0.00           N  
HETATM    5  C   UNK     1       3.286   1.106   2.136  1.00  0.00           C  
HETATM    6  O   UNK     1       3.676   1.881   3.272  1.00  0.00           O  
HETATM    7  C   UNK     1       1.784   1.280   1.889  1.00  0.00           C  
HETATM    8  O   UNK     1       1.486   2.667   1.716  1.00  0.00           O  
HETATM    9  C   UNK     1       1.390   0.511   0.626  1.00  0.00           C  
HETATM   10  C   UNK     1      -0.097   0.728   0.338  1.00  0.00           C  
HETATM   11  O   UNK     1      -0.490  -0.080  -0.773  1.00  0.00           O  
HETATM   12  C   UNK     1       6.388   2.102   0.427  1.00  0.00           C  
HETATM   13  O   UNK     1       6.011   2.966  -0.336  1.00  0.00           O  
HETATM   14  C   UNK     1       7.863   1.865   0.628  1.00  0.00           C  
HETATM   15  C   UNK     1      -2.203  -0.980  -2.189  1.00  0.00           C  
HETATM   16  C   UNK     1      -1.892  -0.044  -1.050  1.00  0.00           C  
HETATM   17  C   UNK     1      -2.300   1.381  -1.434  1.00  0.00           C  
HETATM   18  C   UNK     1      -3.812   1.424  -1.671  1.00  0.00           C  
HETATM   19  C   UNK     1      -4.530   0.935  -0.410  1.00  0.00           C  
HETATM   20  C   UNK     1      -4.036  -0.473  -0.064  1.00  0.00           C  
HETATM   21  C   UNK     1      -4.703  -0.945   1.229  1.00  0.00           C  
HETATM   22  C   UNK     1      -4.118  -2.297   1.640  1.00  0.00           C  
HETATM   23  C   UNK     1      -4.786  -2.770   2.934  1.00  0.00           C  
HETATM   24  C   UNK     1      -6.712   2.016  -0.479  1.00  0.00           C  
HETATM   25  C   UNK     1      -8.198   1.982  -0.727  1.00  0.00           C  
HETATM   26  N   UNK     1      -5.975   0.901  -0.650  1.00  0.00           N  
HETATM   27  O   UNK     1      -1.328  -1.665  -2.664  1.00  0.00           O  
HETATM   28  O   UNK     1      -3.452  -1.054  -2.674  1.00  0.00           O  
HETATM   29  O   UNK     1      -4.213   2.765  -1.959  1.00  0.00           O  
HETATM   30  O   UNK     1      -2.618  -0.449   0.112  1.00  0.00           O  
HETATM   31  O   UNK     1      -4.467   0.012   2.264  1.00  0.00           O  
HETATM   32  O   UNK     1      -4.354  -3.254   0.605  1.00  0.00           O  
HETATM   33  O   UNK     1      -4.159  -3.973   3.381  1.00  0.00           O  
HETATM   34  O   UNK     1      -6.180   3.048  -0.127  1.00  0.00           O  
HETATM   35  N   UNK     1       4.295  -3.447  -0.184  1.00  0.00           N  
HETATM   36  C   UNK     1       4.622  -2.562  -1.309  1.00  0.00           C  
HETATM   37  C   UNK     1       6.035  -2.060  -1.159  1.00  0.00           C  
HETATM   38  O   UNK     1       6.575  -2.090  -0.079  1.00  0.00           O  
HETATM   39  C   UNK     1       3.657  -1.375  -1.321  1.00  0.00           C  
HETATM   40  O   UNK     1       3.859  -0.585  -0.147  1.00  0.00           O  
HETATM   41  C   UNK     1       2.216  -1.889  -1.347  1.00  0.00           C  
HETATM   42  O   UNK     1       6.692  -1.578  -2.226  1.00  0.00           O  
HETATM   43  H   UNK     1       4.086   1.170  -1.214  1.00  0.00           H  
HETATM   44  H   UNK     1       3.873   2.649   0.749  1.00  0.00           H  
HETATM   45  H   UNK     1       5.789   0.664   1.707  1.00  0.00           H  
HETATM   46  H   UNK     1       3.506   0.054   2.317  1.00  0.00           H  
HETATM   47  H   UNK     1       3.228   1.631   4.091  1.00  0.00           H  
HETATM   48  H   UNK     1       1.227   0.891   2.742  1.00  0.00           H  
HETATM   49  H   UNK     1       0.551   2.851   1.555  1.00  0.00           H  
HETATM   50  H   UNK     1       1.580  -0.552   0.773  1.00  0.00           H  
HETATM   51  H   UNK     1      -0.681   0.450   1.215  1.00  0.00           H  
HETATM   52  H   UNK     1       8.006   1.056   1.344  1.00  0.00           H  
HETATM   53  H   UNK     1       8.320   1.594  -0.323  1.00  0.00           H  
HETATM   54  H   UNK     1       8.328   2.775   1.008  1.00  0.00           H  
HETATM   55  H   UNK     1      -0.271   1.778   0.103  1.00  0.00           H  
HETATM   56  H   UNK     1      -2.037   2.065  -0.628  1.00  0.00           H  
HETATM   57  H   UNK     1      -1.780   1.675  -2.346  1.00  0.00           H  
HETATM   58  H   UNK     1      -4.069   0.777  -2.511  1.00  0.00           H  
HETATM   59  H   UNK     1      -4.313   1.610   0.418  1.00  0.00           H  
HETATM   60  H   UNK     1      -4.289  -1.156  -0.875  1.00  0.00           H  
HETATM   61  H   UNK     1      -5.776  -1.048   1.067  1.00  0.00           H  
HETATM   62  H   UNK     1      -3.045  -2.194   1.802  1.00  0.00           H  
HETATM   63  H   UNK     1      -4.681  -2.000   3.698  1.00  0.00           H  
HETATM   64  H   UNK     1      -5.843  -2.957   2.749  1.00  0.00           H  
HETATM   65  H   UNK     1      -8.714   1.719   0.197  1.00  0.00           H  
HETATM   66  H   UNK     1      -8.533   2.963  -1.064  1.00  0.00           H  
HETATM   67  H   UNK     1      -8.422   1.239  -1.492  1.00  0.00           H  
HETATM   68  H   UNK     1      -6.400   0.076  -0.931  1.00  0.00           H  
HETATM   69  H   UNK     1      -3.603  -1.669  -3.405  1.00  0.00           H  
HETATM   70  H   UNK     1      -3.791   3.142  -2.744  1.00  0.00           H  
HETATM   71  H   UNK     1      -3.531   0.154   2.461  1.00  0.00           H  
HETATM   72  H   UNK     1      -5.290  -3.396   0.408  1.00  0.00           H  
HETATM   73  H   UNK     1      -4.532  -4.331   4.198  1.00  0.00           H  
HETATM   74  H   UNK     1       4.876  -4.272  -0.192  1.00  0.00           H  
HETATM   75  H   UNK     1       4.373  -2.959   0.696  1.00  0.00           H  
HETATM   76  H   UNK     1       4.530  -3.114  -2.244  1.00  0.00           H  
HETATM   77  H   UNK     1       3.841  -0.765  -2.205  1.00  0.00           H  
HETATM   78  H   UNK     1       2.031  -2.498  -0.463  1.00  0.00           H  
HETATM   79  H   UNK     1       1.528  -1.043  -1.355  1.00  0.00           H  
HETATM   80  H   UNK     1       2.062  -2.491  -2.242  1.00  0.00           H  
HETATM   81  H   UNK     1       7.596  -1.268  -2.081  1.00  0.00           H  
CONECT    1    9    2                                                 
CONECT    2    1    3   43   40                                       
CONECT    3    2    5   44    4                                       
CONECT    4    3   45   12                                            
CONECT    5    3    7    6   46                                       
CONECT    6    5   47                                                 
CONECT    7    5    8   48    9                                       
CONECT    8    7   49                                                 
CONECT    9    1    7   10   50                                       
CONECT   10    9   11   51   55                                       
CONECT   11   10   16                                                 
CONECT   12    4   13   13   14                                       
CONECT   13   12   12                                                 
CONECT   14   12   52   53   54                                       
CONECT   15   16   27   27   28                                       
CONECT   16   15   17   30   11                                       
CONECT   17   16   18   56   57                                       
CONECT   18   17   19   29   58                                       
CONECT   19   18   20   26   59                                       
CONECT   20   19   21   30   60                                       
CONECT   21   20   22   31   61                                       
CONECT   22   21   23   32   62                                       
CONECT   23   22   33   63   64                                       
CONECT   24   25   26   34   34                                       
CONECT   25   24   65   66   67                                       
CONECT   26   19   24   68                                            
CONECT   27   15   15                                                 
CONECT   28   15   69                                                 
CONECT   29   18   70                                                 
CONECT   30   16   20                                                 
CONECT   31   21   71                                                 
CONECT   32   22   72                                                 
CONECT   33   23   73                                                 
CONECT   34   24   24                                                 
CONECT   35   36   74   75                                            
CONECT   36   35   37   39   76                                       
CONECT   37   36   38   38   42                                       
CONECT   38   37   37                                                 
CONECT   39   36   40   41   77                                       
CONECT   40   39    2                                                 
CONECT   41   39   78   79   80                                       
CONECT   42   37   81                                                 
CONECT   43    2                                                      
CONECT   44    3                                                      
CONECT   45    4                                                      
CONECT   46    5                                                      
CONECT   47    6                                                      
CONECT   48    7                                                      
CONECT   49    8                                                      
CONECT   50    9                                                      
CONECT   51   10                                                      
CONECT   52   14                                                      
CONECT   53   14                                                      
CONECT   54   14                                                      
CONECT   55   10                                                      
CONECT   56   17                                                      
CONECT   57   17                                                      
CONECT   58   18                                                      
CONECT   59   19                                                      
CONECT   60   20                                                      
CONECT   61   21                                                      
CONECT   62   22                                                      
CONECT   63   23                                                      
CONECT   64   23                                                      
CONECT   65   25                                                      
CONECT   66   25                                                      
CONECT   67   25                                                      
CONECT   68   26                                                      
CONECT   69   28                                                      
CONECT   70   29                                                      
CONECT   71   31                                                      
CONECT   72   32                                                      
CONECT   73   33                                                      
CONECT   74   35                                                      
CONECT   75   35                                                      
CONECT   76   36                                                      
CONECT   77   39                                                      
CONECT   78   41                                                      
CONECT   79   41                                                      
CONECT   80   41                                                      
CONECT   81   42                                                      
MASTER        0    0    0    0    0    0    0    0   81    0   81    0
END
