COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.493   3.515   0.008  1.00  0.00           C  
HETATM    2  N   UNL     1      -2.153  -0.515  -0.628  1.00  0.00           N  
HETATM    3  C   UNL     1      -1.017  -0.595   0.093  1.00  0.00           C  
HETATM    4  C   UNL     1       0.312  -0.320  -0.561  1.00  0.00           C  
HETATM    5  C   UNL     1       2.705  -0.447  -0.216  1.00  0.00           C  
HETATM    6  C   UNL     1       5.732  -1.715  -0.430  1.00  0.00           C  
HETATM    7  C   UNL     1       6.974  -1.590  -1.023  1.00  0.00           C  
HETATM    8  C   UNL     1       7.633  -0.375  -0.998  1.00  0.00           C  
HETATM    9  C   UNL     1       5.802   0.593   0.205  1.00  0.00           C  
HETATM   10  C   UNL     1       1.508   1.917   0.857  1.00  0.00           C  
HETATM   11  O   UNL     1      -2.908  -3.021  -0.491  1.00  0.00           O  
HETATM   12  C   UNL     1      -3.714  -2.264  -0.003  1.00  0.00           C  
HETATM   13  O   UNL     1      -4.848  -2.745   0.531  1.00  0.00           O  
HETATM   14  C   UNL     1      -5.040  -4.183   0.485  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.445  -0.782   0.008  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.552  -0.057  -0.762  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.351   1.432  -0.647  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.559   2.197  -1.423  1.00  0.00           C  
HETATM   19  N   UNL     1      -3.661   3.464  -0.996  1.00  0.00           N  
HETATM   20  N   UNL     1      -4.946   2.268   0.258  1.00  0.00           N  
HETATM   21  O   UNL     1      -1.066  -0.888   1.269  1.00  0.00           O  
HETATM   22  N   UNL     1       1.386  -0.472   0.430  1.00  0.00           N  
HETATM   23  C   UNL     1       1.290   0.559   1.472  1.00  0.00           C  
HETATM   24  O   UNL     1       1.584   3.005   1.640  1.00  0.00           O  
HETATM   25  O   UNL     1       1.614   2.027  -0.342  1.00  0.00           O  
HETATM   26  C   UNL     1       3.787  -0.757   0.821  1.00  0.00           C  
HETATM   27  C   UNL     1       5.146  -0.624   0.184  1.00  0.00           C  
HETATM   28  C   UNL     1       7.050   0.715  -0.378  1.00  0.00           C  
HETATM   29  H   UNL     1      -4.769   4.407   0.552  1.00  0.00           H  
HETATM   30  H   UNL     1      -2.115  -0.281  -1.569  1.00  0.00           H  
HETATM   31  H   UNL     1       0.468  -1.026  -1.377  1.00  0.00           H  
HETATM   32  H   UNL     1       0.321   0.696  -0.954  1.00  0.00           H  
HETATM   33  H   UNL     1       2.736  -1.194  -1.008  1.00  0.00           H  
HETATM   34  H   UNL     1       2.883   0.541  -0.641  1.00  0.00           H  
HETATM   35  H   UNL     1       5.217  -2.664  -0.449  1.00  0.00           H  
HETATM   36  H   UNL     1       7.430  -2.441  -1.507  1.00  0.00           H  
HETATM   37  H   UNL     1       8.603  -0.277  -1.461  1.00  0.00           H  
HETATM   38  H   UNL     1       5.347   1.444   0.689  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.040  -4.517  -0.552  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.231  -4.675   1.025  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.993  -4.438   0.949  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.424  -0.424   1.037  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.515  -0.350  -1.811  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.522  -0.326  -0.343  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.948   1.850  -2.243  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.574   2.012   0.952  1.00  0.00           H  
HETATM   47  H   UNL     1       2.050   0.379   2.232  1.00  0.00           H  
HETATM   48  H   UNL     1       0.302   0.522   1.930  1.00  0.00           H  
HETATM   49  H   UNL     1       3.704  -0.057   1.653  1.00  0.00           H  
HETATM   50  H   UNL     1       3.656  -1.775   1.189  1.00  0.00           H  
HETATM   51  H   UNL     1       7.562   1.665  -0.363  1.00  0.00           H  
HETATM   52  H   UNL     1       1.724   3.854   1.199  1.00  0.00           H  
CONECT    1   19   19   29   20                                       
CONECT    2   30    3   15                                            
CONECT    3    2    4   21   21                                       
CONECT    4    3   31   32   22                                       
CONECT    5   33   34   22   26                                       
CONECT    6    7   35   27   27                                       
CONECT    7    6   36    8    8                                       
CONECT    8    7    7   37   28                                       
CONECT    9   28   28   27   38                                       
CONECT   10   23   24   25   25                                       
CONECT   11   12   12                                                 
CONECT   12   11   11   13   15                                       
CONECT   13   12   14                                                 
CONECT   14   13   39   40   41                                       
CONECT   15   12    2   42   16                                       
CONECT   16   17   15   43   44                                       
CONECT   17   16   18   18   20                                       
CONECT   18   17   17   19   45                                       
CONECT   19    1    1   18                                            
CONECT   20   17    1   46                                            
CONECT   21    3    3                                                 
CONECT   22    4    5   23                                            
CONECT   23   10   22   47   48                                       
CONECT   24   10   52                                                 
CONECT   25   10   10                                                 
CONECT   26   27    5   49   50                                       
CONECT   27    9   26    6    6                                       
CONECT   28    9    9    8   51                                       
CONECT   29    1                                                      
CONECT   30    2                                                      
CONECT   31    4                                                      
CONECT   32    4                                                      
CONECT   33    5                                                      
CONECT   34    5                                                      
CONECT   35    6                                                      
CONECT   36    7                                                      
CONECT   37    8                                                      
CONECT   38    9                                                      
CONECT   39   14                                                      
CONECT   40   14                                                      
CONECT   41   14                                                      
CONECT   42   15                                                      
CONECT   43   16                                                      
CONECT   44   16                                                      
CONECT   45   18                                                      
CONECT   46   20                                                      
CONECT   47   23                                                      
CONECT   48   23                                                      
CONECT   49   26                                                      
CONECT   50   26                                                      
CONECT   51   28                                                      
CONECT   52   24                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
