COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       9.092   2.246  -1.362  1.00  0.00           C  
HETATM    2  N   UNL     1       7.978   1.418  -0.880  1.00  0.00           N  
HETATM    3  C   UNL     1       7.685   1.699   0.532  1.00  0.00           C  
HETATM    4  C   UNL     1       6.575   0.763   1.016  1.00  0.00           C  
HETATM    5  N   UNL     1       5.378   0.956   0.185  1.00  0.00           N  
HETATM    6  C   UNL     1       5.671   0.674  -1.227  1.00  0.00           C  
HETATM    7  C   UNL     1       6.781   1.610  -1.712  1.00  0.00           C  
HETATM    8  C   UNL     1       4.318   0.168   0.643  1.00  0.00           C  
HETATM    9  C   UNL     1       4.496  -0.654   1.756  1.00  0.00           C  
HETATM   10  C   UNL     1       3.476  -1.433   2.223  1.00  0.00           C  
HETATM   11  C   UNL     1       2.235  -1.411   1.583  1.00  0.00           C  
HETATM   12  N   UNL     1       1.198  -2.172   2.017  1.00  0.00           N  
HETATM   13  C   UNL     1       0.044  -2.154   1.423  1.00  0.00           C  
HETATM   14  N   UNL     1      -0.223  -1.385   0.332  1.00  0.00           N  
HETATM   15  C   UNL     1      -1.497  -1.424  -0.250  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.483  -0.550   0.180  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.750  -0.593  -0.403  1.00  0.00           C  
HETATM   18  N   UNL     1      -6.029   0.294  -0.515  1.00  0.00           N  
HETATM   19  C   UNL     1      -4.806   0.337   0.050  1.00  0.00           C  
HETATM   20  O   UNL     1      -4.571   1.141   0.931  1.00  0.00           O  
HETATM   21  C   UNL     1      -6.913   2.162   0.923  1.00  0.00           C  
HETATM   22  C   UNL     1      -8.138   2.734   0.956  1.00  0.00           C  
HETATM   23  O   UNL     1      -8.879   2.108   0.031  1.00  0.00           O  
HETATM   24  C   UNL     1      -7.025   1.171  -0.088  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.016  -1.517  -1.415  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.028  -2.383  -1.835  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.771  -2.337  -1.262  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.696  -3.283  -1.731  1.00  0.00           C  
HETATM   29  N   UNL     1      -8.250   1.246  -0.538  1.00  0.00           N  
HETATM   30  C   UNL     1       0.730  -0.582  -0.195  1.00  0.00           C  
HETATM   31  C   UNL     1       3.096   0.213  -0.007  1.00  0.00           C  
HETATM   32  O   UNL     1       0.505   0.111  -1.170  1.00  0.00           O  
HETATM   33  C   UNL     1       2.049  -0.581   0.455  1.00  0.00           C  
HETATM   34  H   UNL     1       9.983   2.034  -0.771  1.00  0.00           H  
HETATM   35  H   UNL     1       9.287   2.018  -2.409  1.00  0.00           H  
HETATM   36  H   UNL     1       8.831   3.299  -1.262  1.00  0.00           H  
HETATM   37  H   UNL     1       8.583   1.538   1.129  1.00  0.00           H  
HETATM   38  H   UNL     1       7.359   2.734   0.637  1.00  0.00           H  
HETATM   39  H   UNL     1       6.911  -0.270   0.937  1.00  0.00           H  
HETATM   40  H   UNL     1       6.336   0.990   2.056  1.00  0.00           H  
HETATM   41  H   UNL     1       5.997  -0.361  -1.332  1.00  0.00           H  
HETATM   42  H   UNL     1       4.773   0.836  -1.824  1.00  0.00           H  
HETATM   43  H   UNL     1       6.445   2.644  -1.632  1.00  0.00           H  
HETATM   44  H   UNL     1       7.020   1.384  -2.751  1.00  0.00           H  
HETATM   45  H   UNL     1       5.453  -0.674   2.256  1.00  0.00           H  
HETATM   46  H   UNL     1       3.628  -2.064   3.085  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.743  -2.781   1.814  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.270   0.163   0.964  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.048   2.405   1.523  1.00  0.00           H  
HETATM   50  H   UNL     1      -8.457   3.539   1.602  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.996  -1.553  -1.868  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.236  -3.097  -2.618  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.736  -4.199  -1.142  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.854  -3.519  -2.783  1.00  0.00           H  
HETATM   55  H   UNL     1       0.280  -2.813  -1.607  1.00  0.00           H  
HETATM   56  H   UNL     1       2.958   0.853  -0.866  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.216  -0.348  -1.218  1.00  0.00           H  
CONECT    1    2   34   35   36                                       
CONECT    2    1    3    7                                            
CONECT    3    2    4   37   38                                       
CONECT    4    3    5   39   40                                       
CONECT    5    4    6    8                                            
CONECT    6    5    7   41   42                                       
CONECT    7    2    6   43   44                                       
CONECT    8    5    9    9   31                                       
CONECT    9    8    8   10   45                                       
CONECT   10    9   11   11   46                                       
CONECT   11   10   10   12   33                                       
CONECT   12   11   13   13                                            
CONECT   13   12   12   14   47                                       
CONECT   14   13   15   30                                            
CONECT   15   14   16   16   27                                       
CONECT   16   15   15   17   48                                       
CONECT   17   16   19   25   25                                       
CONECT   18   19   24   57                                            
CONECT   19   17   18   20   20                                       
CONECT   20   19   19                                                 
CONECT   21   22   22   24   49                                       
CONECT   22   21   21   23   50                                       
CONECT   23   22   29                                                 
CONECT   24   18   21   29   29                                       
CONECT   25   17   17   26   51                                       
CONECT   26   25   27   27   52                                       
CONECT   27   15   26   26   28                                       
CONECT   28   27   53   54   55                                       
CONECT   29   23   24   24                                            
CONECT   30   14   32   32   33                                       
CONECT   31    8   33   33   56                                       
CONECT   32   30   30                                                 
CONECT   33   11   30   31   31                                       
CONECT   34    1                                                      
CONECT   35    1                                                      
CONECT   36    1                                                      
CONECT   37    3                                                      
CONECT   38    3                                                      
CONECT   39    4                                                      
CONECT   40    4                                                      
CONECT   41    6                                                      
CONECT   42    6                                                      
CONECT   43    7                                                      
CONECT   44    7                                                      
CONECT   45    9                                                      
CONECT   46   10                                                      
CONECT   47   13                                                      
CONECT   48   16                                                      
CONECT   49   21                                                      
CONECT   50   22                                                      
CONECT   51   25                                                      
CONECT   52   26                                                      
CONECT   53   28                                                      
CONECT   54   28                                                      
CONECT   55   28                                                      
CONECT   56   31                                                      
CONECT   57   18                                                      
MASTER        0    0    0    0    0    0    0    0   57    0   57    0
END
