COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.457  -0.639  -0.779  1.00  0.00           C  
HETATM    2  C   UNL     1       5.012  -0.318   0.505  1.00  0.00           C  
HETATM    3  C   UNL     1       4.839  -1.343   1.414  1.00  0.00           C  
HETATM    4  N   UNL     1       5.099  -2.588   1.042  1.00  0.00           N  
HETATM    5  N   UNL     1       5.697  -1.913  -1.077  1.00  0.00           N  
HETATM    6  C   UNL     1       5.518  -2.859  -0.178  1.00  0.00           C  
HETATM    7  C   UNL     1       2.678   1.691   2.673  1.00  0.00           C  
HETATM    8  C   UNL     1       5.800  -4.290  -0.555  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.222   1.470   0.147  1.00  0.00           C  
HETATM   10  C   UNL     1       0.148   0.998   0.638  1.00  0.00           C  
HETATM   11  C   UNL     1       3.164   1.585  -1.065  1.00  0.00           C  
HETATM   12  C   UNL     1       4.729   1.112   0.889  1.00  0.00           C  
HETATM   13  C   UNL     1       2.476   1.765   1.182  1.00  0.00           C  
HETATM   14  C   UNL     1       1.138   2.163   0.587  1.00  0.00           C  
HETATM   15  N   UNL     1       5.641   0.353  -1.729  1.00  0.00           N  
HETATM   16  N   UNL     1       3.410   1.501   0.384  1.00  0.00           N1+
HETATM   17  O   UNL     1      -6.778  -0.199   0.807  1.00  0.00           O  
HETATM   18  O   UNL     1      -3.763   0.839  -1.828  1.00  0.00           O  
HETATM   19  O   UNL     1      -6.160  -2.640   0.978  1.00  0.00           O  
HETATM   20  O   UNL     1      -6.590  -1.496  -1.350  1.00  0.00           O  
HETATM   21  O   UNL     1      -4.323   1.622   0.505  1.00  0.00           O  
HETATM   22  O   UNL     1      -2.147   0.382   0.194  1.00  0.00           O  
HETATM   23  O   UNL     1      -4.461  -0.858   0.055  1.00  0.00           O  
HETATM   24  P   UNL     1      -6.014  -1.275   0.137  1.00  0.00           P  
HETATM   25  P   UNL     1      -3.688   0.520  -0.252  1.00  0.00           P  
HETATM   26  S   UNL     1       1.604   2.557  -1.148  1.00  0.00           S  
HETATM   27  H   UNL     1       4.497  -1.133   2.417  1.00  0.00           H  
HETATM   28  H   UNL     1       3.449   2.402   2.971  1.00  0.00           H  
HETATM   29  H   UNL     1       1.744   1.935   3.179  1.00  0.00           H  
HETATM   30  H   UNL     1       2.987   0.683   2.948  1.00  0.00           H  
HETATM   31  H   UNL     1       4.894  -4.746  -0.956  1.00  0.00           H  
HETATM   32  H   UNL     1       6.586  -4.319  -1.310  1.00  0.00           H  
HETATM   33  H   UNL     1       6.124  -4.841   0.328  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.578   2.278   0.787  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.136   1.830  -0.878  1.00  0.00           H  
HETATM   36  H   UNL     1       0.062   0.638   1.663  1.00  0.00           H  
HETATM   37  H   UNL     1       0.504   0.190  -0.002  1.00  0.00           H  
HETATM   38  H   UNL     1       3.976   2.114  -1.565  1.00  0.00           H  
HETATM   39  H   UNL     1       3.026   0.594  -1.496  1.00  0.00           H  
HETATM   40  H   UNL     1       4.744   1.206   1.975  1.00  0.00           H  
HETATM   41  H   UNL     1       5.490   1.762   0.458  1.00  0.00           H  
HETATM   42  H   UNL     1       0.732   3.040   1.092  1.00  0.00           H  
HETATM   43  H   UNL     1       5.946   0.121  -2.619  1.00  0.00           H  
HETATM   44  H   UNL     1       5.464   1.280  -1.503  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.364   0.157  -2.387  1.00  0.00           H  
HETATM   46  H   UNL     1      -7.071  -2.951   1.069  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.135  -2.189  -1.848  1.00  0.00           H  
CONECT    1    2    2    5   15                                       
CONECT    2   12    3    1    1                                       
CONECT    3    4    4    2   27                                       
CONECT    4    3    3    6                                            
CONECT    5    6    6    1                                            
CONECT    6    4    8    5    5                                       
CONECT    7   13   28   29   30                                       
CONECT    8    6   31   32   33                                       
CONECT    9   10   22   34   35                                       
CONECT   10   14    9   36   37                                       
CONECT   11   16   26   38   39                                       
CONECT   12   16    2   40   41                                       
CONECT   13    7   16   16   14                                       
CONECT   14   13   10   26   42                                       
CONECT   15    1   43   44                                            
CONECT   16   13   13   12   11                                       
CONECT   17   24   24                                                 
CONECT   18   25   45                                                 
CONECT   19   24   46                                                 
CONECT   20   24   47                                                 
CONECT   21   25   25                                                 
CONECT   22    9   25                                                 
CONECT   23   25   24                                                 
CONECT   24   17   17   23   19                                       
CONECT   24   20                                                      
CONECT   25   22   21   21   23                                       
CONECT   25   18                                                      
CONECT   26   14   11                                                 
CONECT   27    3                                                      
CONECT   28    7                                                      
CONECT   29    7                                                      
CONECT   30    7                                                      
CONECT   31    8                                                      
CONECT   32    8                                                      
CONECT   33    8                                                      
CONECT   34    9                                                      
CONECT   35    9                                                      
CONECT   36   10                                                      
CONECT   37   10                                                      
CONECT   38   11                                                      
CONECT   39   11                                                      
CONECT   40   12                                                      
CONECT   41   12                                                      
CONECT   42   14                                                      
CONECT   43   15                                                      
CONECT   44   15                                                      
CONECT   45   18                                                      
CONECT   46   19                                                      
CONECT   47   20                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
