COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.783   1.674   0.818  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.906   3.184  -0.961  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.049   2.348  -1.716  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.594   1.203  -1.163  1.00  0.00           C  
HETATM    5  N   UNL     1      -3.968   0.871   0.111  1.00  0.00           N  
HETATM    6  O   UNL     1      -5.098   1.362   1.950  1.00  0.00           O  
HETATM    7  N   UNL     1      -5.251   2.821   0.291  1.00  0.00           N  
HETATM    8  O   UNL     1      -5.329   4.222  -1.439  1.00  0.00           O  
HETATM    9  C   UNL     1      -3.475  -0.371   0.711  1.00  0.00           C  
HETATM   10  O   UNL     1      -2.045  -0.484   0.545  1.00  0.00           O  
HETATM   11  C   UNL     1      -4.025  -1.603  -0.053  1.00  0.00           C  
HETATM   12  O   UNL     1      -5.307  -1.984   0.451  1.00  0.00           O  
HETATM   13  C   UNL     1      -2.963  -2.683   0.265  1.00  0.00           C  
HETATM   14  O   UNL     1      -3.401  -3.514   1.341  1.00  0.00           O  
HETATM   15  C   UNL     1      -1.715  -1.877   0.675  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.545  -2.223  -0.247  1.00  0.00           C  
HETATM   17  O   UNL     1       0.632  -1.548   0.202  1.00  0.00           O  
HETATM   18  P   UNL     1       2.056  -1.683  -0.536  1.00  0.00           P  
HETATM   19  O   UNL     1       2.582  -3.200  -0.414  1.00  0.00           O  
HETATM   20  O   UNL     1       1.907  -1.326  -1.965  1.00  0.00           O  
HETATM   21  O   UNL     1       3.116  -0.690   0.157  1.00  0.00           O  
HETATM   22  P   UNL     1       4.517  -0.047  -0.308  1.00  0.00           P  
HETATM   23  O   UNL     1       5.669  -1.171  -0.250  1.00  0.00           O  
HETATM   24  O   UNL     1       4.392   0.459  -1.693  1.00  0.00           O  
HETATM   25  O   UNL     1       4.904   1.168   0.675  1.00  0.00           O  
HETATM   26  C   UNL     1       6.040   2.009   0.464  1.00  0.00           C  
HETATM   27  C   UNL     1       6.113   3.056   1.577  1.00  0.00           C  
HETATM   28  C   UNL     1       7.329   3.956   1.351  1.00  0.00           C  
HETATM   29  H   UNL     1      -3.762   2.622  -2.720  1.00  0.00           H  
HETATM   30  H   UNL     1      -2.939   0.552  -1.723  1.00  0.00           H  
HETATM   31  H   UNL     1      -5.838   3.389   0.814  1.00  0.00           H  
HETATM   32  H   UNL     1      -3.746  -0.421   1.765  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.073  -1.406  -1.124  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.693  -2.750   0.004  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.754  -3.285  -0.620  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.216  -4.001   1.156  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.451  -2.100   1.709  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.375  -3.300  -0.230  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.779  -1.909  -1.264  1.00  0.00           H  
HETATM   40  H   UNL     1       2.702  -3.502   0.496  1.00  0.00           H  
HETATM   41  H   UNL     1       5.806  -1.548   0.629  1.00  0.00           H  
HETATM   42  H   UNL     1       6.946   1.403   0.474  1.00  0.00           H  
HETATM   43  H   UNL     1       5.947   2.509  -0.500  1.00  0.00           H  
HETATM   44  H   UNL     1       5.206   3.661   1.567  1.00  0.00           H  
HETATM   45  H   UNL     1       6.205   2.555   2.541  1.00  0.00           H  
HETATM   46  H   UNL     1       7.382   4.702   2.144  1.00  0.00           H  
HETATM   47  H   UNL     1       8.236   3.351   1.361  1.00  0.00           H  
HETATM   48  H   UNL     1       7.237   4.456   0.387  1.00  0.00           H  
CONECT    1    6    6    5    7                                       
CONECT    2    7    3    8    8                                       
CONECT    3    4    4    2   29                                       
CONECT    4    5    3    3   30                                       
CONECT    5    9    1    4                                            
CONECT    6    1    1                                                 
CONECT    7    1    2   31                                            
CONECT    8    2    2                                                 
CONECT    9   10    5   11   32                                       
CONECT   10   15    9                                                 
CONECT   11    9   13   12   33                                       
CONECT   12   11   34                                                 
CONECT   13   15   14   11   35                                       
CONECT   14   13   36                                                 
CONECT   15   10   16   13   37                                       
CONECT   16   17   15   38   39                                       
CONECT   17   18   16                                                 
CONECT   18   20   20   17   19                                       
CONECT   18   21                                                      
CONECT   19   18   40                                                 
CONECT   20   18   18                                                 
CONECT   21   18   22                                                 
CONECT   22   21   24   24   25                                       
CONECT   22   23                                                      
CONECT   23   22   41                                                 
CONECT   24   22   22                                                 
CONECT   25   26   22                                                 
CONECT   26   27   25   42   43                                       
CONECT   27   28   26   44   45                                       
CONECT   28   27   46   47   48                                       
CONECT   29    3                                                      
CONECT   30    4                                                      
CONECT   31    7                                                      
CONECT   32    9                                                      
CONECT   33   11                                                      
CONECT   34   12                                                      
CONECT   35   13                                                      
CONECT   36   14                                                      
CONECT   37   15                                                      
CONECT   38   16                                                      
CONECT   39   16                                                      
CONECT   40   19                                                      
CONECT   41   23                                                      
CONECT   42   26                                                      
CONECT   43   26                                                      
CONECT   44   27                                                      
CONECT   45   27                                                      
CONECT   46   28                                                      
CONECT   47   28                                                      
CONECT   48   28                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
