COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.833  -1.739   0.769  1.00  0.00           C  
HETATM    2  C   UNL     1       2.653  -2.391   1.066  1.00  0.00           C  
HETATM    3  C   UNL     1       1.441  -1.831   0.708  1.00  0.00           C  
HETATM    4  O   UNL     1      -4.639  -0.948  -1.926  1.00  0.00           O  
HETATM    5  C   UNL     1       7.473   0.285  -0.154  1.00  0.00           C  
HETATM    6  C   UNL     1       5.072   0.191  -0.210  1.00  0.00           C  
HETATM    7  C   UNL     1       3.804  -0.510   0.110  1.00  0.00           C  
HETATM    8  C   UNL     1       5.044   1.419  -0.869  1.00  0.00           C  
HETATM    9  O   UNL     1      -0.823  -0.904   1.473  1.00  0.00           O  
HETATM   10  C   UNL     1       6.225   2.070  -1.166  1.00  0.00           C  
HETATM   11  O   UNL     1      -6.731  -1.304  -1.179  1.00  0.00           O  
HETATM   12  C   UNL     1       7.436   1.508  -0.811  1.00  0.00           C  
HETATM   13  N   UNL     1       0.174  -0.047  -0.314  1.00  0.00           N  
HETATM   14  C   UNL     1       9.843   0.474  -0.145  1.00  0.00           C  
HETATM   15  O   UNL     1       8.667  -0.262   0.197  1.00  0.00           O  
HETATM   16  B   UNL     1      -5.423  -1.077  -0.813  1.00  0.00           B1-
HETATM   17  C   UNL     1       1.403  -0.610   0.047  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.900  -0.205   0.485  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.196   0.488   0.151  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.246   0.144   1.210  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.542   0.836   0.875  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.429   0.254  -0.002  1.00  0.00           C  
HETATM   23  C   UNL     1      -7.344  -0.007  -1.288  1.00  0.00           C  
HETATM   24  C   UNL     1      -6.624   0.891  -0.311  1.00  0.00           C  
HETATM   25  C   UNL     1      -6.925   2.107   0.261  1.00  0.00           C  
HETATM   26  C   UNL     1      -6.034   2.693   1.143  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.844   2.059   1.449  1.00  0.00           C  
HETATM   28  C   UNL     1       2.584   0.056  -0.246  1.00  0.00           C  
HETATM   29  C   UNL     1       6.293  -0.375   0.146  1.00  0.00           C  
HETATM   30  O   UNL     1      -4.969  -2.103  -0.031  1.00  0.00           O  
HETATM   31  H   UNL     1       4.778  -2.179   1.050  1.00  0.00           H  
HETATM   32  H   UNL     1       2.677  -3.340   1.579  1.00  0.00           H  
HETATM   33  H   UNL     1       0.520  -2.345   0.942  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.609  -1.740  -2.479  1.00  0.00           H  
HETATM   35  H   UNL     1       4.098   1.861  -1.147  1.00  0.00           H  
HETATM   36  H   UNL     1       6.201   3.022  -1.676  1.00  0.00           H  
HETATM   37  H   UNL     1       8.357   2.022  -1.045  1.00  0.00           H  
HETATM   38  H   UNL     1       0.095   0.457  -1.139  1.00  0.00           H  
HETATM   39  H   UNL     1       9.888   0.606  -1.226  1.00  0.00           H  
HETATM   40  H   UNL     1       9.814   1.451   0.339  1.00  0.00           H  
HETATM   41  H   UNL     1      10.724  -0.072   0.192  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.038   1.566   0.132  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.544   0.154  -0.827  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.404  -0.934   1.228  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.898   0.477   2.188  1.00  0.00           H  
HETATM   46  H   UNL     1      -7.229   0.376  -2.302  1.00  0.00           H  
HETATM   47  H   UNL     1      -8.401  -0.070  -1.030  1.00  0.00           H  
HETATM   48  H   UNL     1      -7.855   2.602   0.022  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.268   3.647   1.592  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.150   2.518   2.138  1.00  0.00           H  
HETATM   51  H   UNL     1       2.557   1.008  -0.756  1.00  0.00           H  
HETATM   52  H   UNL     1       6.320  -1.327   0.657  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.972  -2.964  -0.471  1.00  0.00           H  
CONECT    1    7    2    2   31                                       
CONECT    2    1    1    3   32                                       
CONECT    3   17   17    2   33                                       
CONECT    4   16   34                                                 
CONECT    5   12   15   29   29                                       
CONECT    6    8    8   29    7                                       
CONECT    7    6   28   28    1                                       
CONECT    8   10    6    6   35                                       
CONECT    9   18   18                                                 
CONECT   10   12   12    8   36                                       
CONECT   11   23   16                                                 
CONECT   12   10   10    5   37                                       
CONECT   13   17   18   38                                            
CONECT   14   15   39   40   41                                       
CONECT   15   14    5                                                 
CONECT   16   22   30   11    4                                       
CONECT   17   28   13    3    3                                       
CONECT   18   13   19    9    9                                       
CONECT   19   18   20   42   43                                       
CONECT   20   19   21   44   45                                       
CONECT   21   27   20   22   22                                       
CONECT   22   21   21   24   16                                       
CONECT   23   24   11   46   47                                       
CONECT   24   25   25   22   23                                       
CONECT   25   26   24   24   48                                       
CONECT   26   27   27   25   49                                       
CONECT   27   26   26   21   50                                       
CONECT   28    7    7   17   51                                       
CONECT   29    5    5    6   52                                       
CONECT   30   16   53                                                 
CONECT   31    1                                                      
CONECT   32    2                                                      
CONECT   33    3                                                      
CONECT   34    4                                                      
CONECT   35    8                                                      
CONECT   36   10                                                      
CONECT   37   12                                                      
CONECT   38   13                                                      
CONECT   39   14                                                      
CONECT   40   14                                                      
CONECT   41   14                                                      
CONECT   42   19                                                      
CONECT   43   19                                                      
CONECT   44   20                                                      
CONECT   45   20                                                      
CONECT   46   23                                                      
CONECT   47   23                                                      
CONECT   48   25                                                      
CONECT   49   26                                                      
CONECT   50   27                                                      
CONECT   51   28                                                      
CONECT   52   29                                                      
CONECT   53   30                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
