REMARK  Name = BDB029497
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -5.785  -0.263   0.798  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1       -4.616  -0.074   0.472  0.00  0.00    +0.219 C 
ATOM      3  N   LIG    1       -3.694  -1.087   0.529  0.00  0.00    -0.256 N 
ATOM      4  H   LIG    1       -4.084  -1.994   0.750  0.00  0.00    +0.157 HD
ATOM      5  C   LIG    1       -2.479  -1.122  -0.114  0.00  0.00    +0.227 C 
ATOM      6  O   LIG    1       -1.937  -2.200  -0.339  0.00  0.00    -0.275 OA
ATOM      7  C   LIG    1       -1.867   0.234  -0.457  0.00  0.00    +0.065 C 
ATOM      8  C   LIG    1       -0.721   0.104  -1.468  0.00  0.00    +0.124 C 
ATOM      9  N   LIG    1        0.493   0.005  -0.674  0.00  0.00    -0.297 N 
ATOM     10  C   LIG    1        1.724  -0.122  -1.289  0.00  0.00    +0.247 C 
ATOM     11  O   LIG    1        1.875  -0.052  -2.506  0.00  0.00    -0.270 OA
ATOM     12  C   LIG    1        0.222   0.169   0.743  0.00  0.00    +0.109 C 
ATOM     13  C   LIG    1       -1.160   0.811   0.785  0.00  0.00    +0.036 C 
ATOM     14  C   LIG    1       -2.986   1.137  -0.988  0.00  0.00    +0.027 C 
ATOM     15  C   LIG    1       -4.111   1.276   0.028  0.00  0.00    +0.097 C 
ENDROOT
BRANCH  10  16
ATOM     16  C   LIG    1        2.918  -0.324  -0.439  0.00  0.00    +0.037 A 
ATOM     17  C   LIG    1        2.990  -1.400   0.451  0.00  0.00    +0.013 A 
ATOM     18  C   LIG    1        4.135  -1.577   1.230  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1        5.206  -0.690   1.107  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        5.142   0.369   0.200  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        4.000   0.550  -0.581  0.00  0.00    +0.013 A 
ENDBRANCH  10  16
TORSDOF 1