COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.477   2.624   0.060  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.558  -1.544   0.040  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.894  -1.668   0.076  1.00  0.00           C  
HETATM    4  N   UNL     1      -5.474  -0.428   0.094  1.00  0.00           N  
HETATM    5  C   UNL     1      -0.075   1.568  -0.038  1.00  0.00           C  
HETATM    6  C   UNL     1       1.387   1.725  -0.078  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.742   0.368  -0.026  1.00  0.00           N  
HETATM    8  C   UNL     1       2.078   2.861   0.220  1.00  0.00           C  
HETATM    9  C   UNL     1       3.442   2.561   0.052  1.00  0.00           C  
HETATM   10  C   UNL     1       3.519   1.272  -0.337  1.00  0.00           C  
HETATM   11  C   UNL     1       4.790   0.519  -0.634  1.00  0.00           C  
HETATM   12  N   UNL     1      -0.943   2.554  -0.010  1.00  0.00           N  
HETATM   13  C   UNL     1       5.300  -0.147   0.646  1.00  0.00           C  
HETATM   14  C   UNL     1       6.541  -0.882   0.355  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.134  -0.964  -0.050  1.00  0.00           C  
HETATM   16  N   UNL     1       7.499  -1.450   0.130  1.00  0.00           N  
HETATM   17  O   UNL     1       2.277   0.769  -0.409  1.00  0.00           O  
HETATM   18  C   UNL     1      -2.200   2.051   0.022  1.00  0.00           C  
HETATM   19  N   UNL     1      -4.556   1.876   0.086  1.00  0.00           N  
HETATM   20  C   UNL     1      -2.086   0.650   0.012  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.262  -0.112   0.040  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.503   0.546   0.073  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.613  -1.721  -1.290  1.00  0.00           C  
HETATM   24  C   UNL     1       0.023  -3.113  -1.315  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.387  -3.883  -0.058  1.00  0.00           C  
HETATM   26  C   UNL     1       0.092  -3.126   1.183  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.543  -1.734   1.207  1.00  0.00           C  
HETATM   28  H   UNL     1      -3.576   3.700   0.073  1.00  0.00           H  
HETATM   29  H   UNL     1      -2.838  -2.349   0.020  1.00  0.00           H  
HETATM   30  H   UNL     1      -5.432  -2.604   0.088  1.00  0.00           H  
HETATM   31  H   UNL     1      -6.429  -0.261   0.119  1.00  0.00           H  
HETATM   32  H   UNL     1       1.659   3.809   0.526  1.00  0.00           H  
HETATM   33  H   UNL     1       4.271   3.237   0.200  1.00  0.00           H  
HETATM   34  H   UNL     1       4.592  -0.244  -1.387  1.00  0.00           H  
HETATM   35  H   UNL     1       5.543   1.212  -1.009  1.00  0.00           H  
HETATM   36  H   UNL     1       5.497   0.617   1.398  1.00  0.00           H  
HETATM   37  H   UNL     1       4.546  -0.840   1.020  1.00  0.00           H  
HETATM   38  H   UNL     1       0.951  -0.868  -0.079  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.698  -1.818  -1.260  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.321  -1.173  -2.186  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.319  -3.652  -2.198  1.00  0.00           H  
HETATM   42  H   UNL     1       1.108  -3.016  -1.344  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.472  -3.979  -0.028  1.00  0.00           H  
HETATM   44  H   UNL     1       0.066  -4.874  -0.075  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.199  -3.674   2.078  1.00  0.00           H  
HETATM   46  H   UNL     1       1.178  -3.029   1.153  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.202  -1.194   2.091  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.628  -1.831   1.237  1.00  0.00           H  
CONECT    1   18   19   19   28                                       
CONECT    2   21    3    3   29                                       
CONECT    3    2    2    4   30                                       
CONECT    4   22    3   31                                            
CONECT    5    6   12   12    7                                       
CONECT    6    8    8   17    5                                       
CONECT    7    5   15   20                                            
CONECT    8    9    6    6   32                                       
CONECT    9   10   10    8   33                                       
CONECT   10    9    9   11   17                                       
CONECT   11   13   10   34   35                                       
CONECT   12    5    5   18                                            
CONECT   13   14   11   36   37                                       
CONECT   14   13   16   16   16                                       
CONECT   15   23    7   27   38                                       
CONECT   16   14   14   14                                            
CONECT   17   10    6                                                 
CONECT   18   12   20   20    1                                       
CONECT   19    1    1   22                                            
CONECT   20    7   18   18   21                                       
CONECT   21   20    2   22   22                                       
CONECT   22   21   21   19    4                                       
CONECT   23   24   15   39   40                                       
CONECT   24   23   25   41   42                                       
CONECT   25   24   26   43   44                                       
CONECT   26   25   27   45   46                                       
CONECT   27   15   26   47   48                                       
CONECT   28    1                                                      
CONECT   29    2                                                      
CONECT   30    3                                                      
CONECT   31    4                                                      
CONECT   32    8                                                      
CONECT   33    9                                                      
CONECT   34   11                                                      
CONECT   35   11                                                      
CONECT   36   13                                                      
CONECT   37   13                                                      
CONECT   38   15                                                      
CONECT   39   23                                                      
CONECT   40   23                                                      
CONECT   41   24                                                      
CONECT   42   24                                                      
CONECT   43   25                                                      
CONECT   44   25                                                      
CONECT   45   26                                                      
CONECT   46   26                                                      
CONECT   47   27                                                      
CONECT   48   27                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
