COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -5.045   1.774   1.343  1.00  0.00           O  
HETATM    2  C   UNL     1      -4.273   1.721   0.409  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.665   2.987  -0.139  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.095   3.171  -1.598  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.539   4.498  -2.122  1.00  0.00           C  
HETATM    6  O   UNL     1      -4.005   5.567  -1.297  1.00  0.00           O  
HETATM    7  C   UNL     1      -3.594   5.473   0.068  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.152   4.186   0.681  1.00  0.00           C  
HETATM    9  N   UNL     1      -3.953   0.530  -0.134  1.00  0.00           N  
HETATM   10  C   UNL     1      -4.622  -0.689   0.327  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.995  -1.905  -0.356  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.714  -3.183   0.098  1.00  0.00           C  
HETATM   13  O   UNL     1      -4.093  -4.300  -0.547  1.00  0.00           O  
HETATM   14  C   UNL     1      -2.732  -4.333  -0.538  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.078  -5.526  -0.809  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.697  -5.583  -0.808  1.00  0.00           C  
HETATM   17  C   UNL     1       0.045  -4.451  -0.537  1.00  0.00           C  
HETATM   18  O   UNL     1      -2.616  -2.010   0.016  1.00  0.00           O  
HETATM   19  C   UNL     1      -1.996  -3.188  -0.262  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.599  -3.246  -0.262  1.00  0.00           C  
HETATM   21  C   UNL     1       0.195  -2.028   0.029  1.00  0.00           C  
HETATM   22  N   UNL     1      -0.162  -1.237   1.035  1.00  0.00           N  
HETATM   23  C   UNL     1       1.310  -1.731  -0.750  1.00  0.00           C  
HETATM   24  C   UNL     1       2.046  -0.592  -0.471  1.00  0.00           C  
HETATM   25  C   UNL     1       1.642   0.218   0.585  1.00  0.00           C  
HETATM   26  C   UNL     1       0.517  -0.144   1.329  1.00  0.00           C  
HETATM   27  O   UNL     1       0.117   0.637   2.365  1.00  0.00           O  
HETATM   28  C   UNL     1      -0.971   0.157   3.158  1.00  0.00           C  
HETATM   29  N   UNL     1       2.358   1.378   0.902  1.00  0.00           N  
HETATM   30  C   UNL     1       3.573   1.644   0.268  1.00  0.00           C  
HETATM   31  C   UNL     1       3.901   2.945  -0.093  1.00  0.00           C  
HETATM   32  C   UNL     1       5.104   3.204  -0.719  1.00  0.00           C  
HETATM   33  C   UNL     1       5.983   2.170  -0.987  1.00  0.00           C  
HETATM   34  C   UNL     1       5.660   0.874  -0.629  1.00  0.00           C  
HETATM   35  C   UNL     1       4.461   0.608   0.003  1.00  0.00           C  
HETATM   36  C   UNL     1       6.621  -0.250  -0.923  1.00  0.00           C  
HETATM   37  N   UNL     1       7.534  -0.423   0.215  1.00  0.00           N  
HETATM   38  C   UNL     1       8.326  -1.652   0.071  1.00  0.00           C  
HETATM   39  C   UNL     1       8.405   0.749   0.374  1.00  0.00           C  
HETATM   40  H   UNL     1      -2.579   2.924  -0.083  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.705   2.350  -2.199  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.184   3.183  -1.658  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.450   4.469  -2.099  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.878   4.654  -3.146  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.505   5.458   0.120  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.972   6.333   0.622  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.242   4.218   0.666  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.803   4.090   1.709  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.280   0.480  -0.831  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.508  -0.780   1.407  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.682  -0.638   0.077  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.076  -1.802  -1.438  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.627  -3.288   1.180  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.765  -3.133  -0.183  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.652  -6.416  -1.023  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.196  -6.516  -1.020  1.00  0.00           H  
HETATM   57  H   UNL     1       1.124  -4.499  -0.538  1.00  0.00           H  
HETATM   58  H   UNL     1       1.597  -2.381  -1.563  1.00  0.00           H  
HETATM   59  H   UNL     1       2.915  -0.338  -1.060  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.242   0.910   3.897  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.827  -0.047   2.514  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.672  -0.760   3.666  1.00  0.00           H  
HETATM   63  H   UNL     1       2.009   1.998   1.561  1.00  0.00           H  
HETATM   64  H   UNL     1       3.215   3.753   0.115  1.00  0.00           H  
HETATM   65  H   UNL     1       5.359   4.215  -1.001  1.00  0.00           H  
HETATM   66  H   UNL     1       6.923   2.375  -1.477  1.00  0.00           H  
HETATM   67  H   UNL     1       4.212  -0.403   0.286  1.00  0.00           H  
HETATM   68  H   UNL     1       6.063  -1.172  -1.085  1.00  0.00           H  
HETATM   69  H   UNL     1       7.196  -0.011  -1.817  1.00  0.00           H  
HETATM   70  H   UNL     1       8.994  -1.756   0.926  1.00  0.00           H  
HETATM   71  H   UNL     1       7.657  -2.512   0.025  1.00  0.00           H  
HETATM   72  H   UNL     1       8.914  -1.600  -0.845  1.00  0.00           H  
HETATM   73  H   UNL     1       7.794   1.635   0.548  1.00  0.00           H  
HETATM   74  H   UNL     1       9.071   0.594   1.223  1.00  0.00           H  
HETATM   75  H   UNL     1       8.997   0.888  -0.531  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    9    1    1    3                                       
CONECT    3    2    8    4   40                                       
CONECT    4    3    5   41   42                                       
CONECT    5    4    6   43   44                                       
CONECT    6    7    5                                                 
CONECT    7    8    6   45   46                                       
CONECT    8    3    7   47   48                                       
CONECT    9   10    2   49                                            
CONECT   10   11    9   50   51                                       
CONECT   11   12   18   10   52                                       
CONECT   12   13   11   53   54                                       
CONECT   13   14   12                                                 
CONECT   14   15   13   19   19                                       
CONECT   15   16   16   14   55                                       
CONECT   16   15   15   17   56                                       
CONECT   17   16   20   20   57                                       
CONECT   18   19   11                                                 
CONECT   19   14   14   20   18                                       
CONECT   20   17   17   19   21                                       
CONECT   21   20   23   23   22                                       
CONECT   22   21   26   26                                            
CONECT   23   21   21   24   58                                       
CONECT   24   23   25   25   59                                       
CONECT   25   24   24   26   29                                       
CONECT   26   22   22   25   27                                       
CONECT   27   26   28                                                 
CONECT   28   27   60   61   62                                       
CONECT   29   25   30   63                                            
CONECT   30   31   29   35   35                                       
CONECT   31   32   32   30   64                                       
CONECT   32   31   31   33   65                                       
CONECT   33   32   34   34   66                                       
CONECT   34   33   33   35   36                                       
CONECT   35   30   30   34   67                                       
CONECT   36   37   34   68   69                                       
CONECT   37   38   39   36                                            
CONECT   38   37   70   71   72                                       
CONECT   39   37   73   74   75                                       
CONECT   40    3                                                      
CONECT   41    4                                                      
CONECT   42    4                                                      
CONECT   43    5                                                      
CONECT   44    5                                                      
CONECT   45    7                                                      
CONECT   46    7                                                      
CONECT   47    8                                                      
CONECT   48    8                                                      
CONECT   49    9                                                      
CONECT   50   10                                                      
CONECT   51   10                                                      
CONECT   52   11                                                      
CONECT   53   12                                                      
CONECT   54   12                                                      
CONECT   55   15                                                      
CONECT   56   16                                                      
CONECT   57   17                                                      
CONECT   58   23                                                      
CONECT   59   24                                                      
CONECT   60   28                                                      
CONECT   61   28                                                      
CONECT   62   28                                                      
CONECT   63   29                                                      
CONECT   64   31                                                      
CONECT   65   32                                                      
CONECT   66   33                                                      
CONECT   67   35                                                      
CONECT   68   36                                                      
CONECT   69   36                                                      
CONECT   70   38                                                      
CONECT   71   38                                                      
CONECT   72   38                                                      
CONECT   73   39                                                      
CONECT   74   39                                                      
CONECT   75   39                                                      
MASTER        0    0    0    0    0    0    0    0   75    0   75    0
END
