REMARK  Name = BDB041964
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.351   0.133   0.882  0.00  0.00    +0.221 A 
ATOM      2  N   LIG    1        1.765  -0.245  -0.297  0.00  0.00    -0.203 NA
ATOM      3  C   LIG    1        0.475  -0.269  -0.335  0.00  0.00    +0.206 A 
ATOM      4  N   LIG    1       -0.358   0.080   0.696  0.00  0.00    -0.287 N 
ATOM      5  C   LIG    1        0.185   0.399   1.921  0.00  0.00    +0.258 A 
ATOM      6  O   LIG    1       -0.468   0.657   2.928  0.00  0.00    -0.267 OA
ATOM      7  C   LIG    1        1.651   0.445   1.975  0.00  0.00    +0.137 A 
ENDROOT
BRANCH   4   8
ATOM      8  C   LIG    1       -1.815  -0.009   0.578  0.00  0.00    +0.178 C 
ATOM      9  C   LIG    1       -2.275  -1.471   0.588  0.00  0.00    +0.242 C 
ATOM     10  O   LIG    1       -1.554  -2.418   0.889  0.00  0.00    -0.273 OA
ATOM     11  N   LIG    1       -3.587  -1.677   0.225  0.00  0.00    -0.255 N 
ATOM     12  H   LIG    1       -3.885  -2.644   0.221  0.00  0.00    +0.158 HD
ATOM     13  C   LIG    1       -4.371  -0.828  -0.516  0.00  0.00    +0.219 C 
ATOM     14  O   LIG    1       -5.403  -1.223  -1.050  0.00  0.00    -0.275 OA
ATOM     15  C   LIG    1       -3.909   0.608  -0.613  0.00  0.00    +0.099 C 
ATOM     16  C   LIG    1       -2.389   0.697  -0.651  0.00  0.00    +0.044 C 
ENDBRANCH   4   8
BRANCH   1  17
ATOM     17  O   LIG    1        3.732   0.202   0.990  0.00  0.00    -0.476 OA
BRANCH  17  19
ATOM     18  C   LIG    1        4.664   0.933  -1.130  0.00  0.00    +0.048 C 
ATOM     19  C   LIG    1        4.477  -0.217  -0.154  0.00  0.00    +0.227 C 
ENDBRANCH  17  19
ENDBRANCH   1  17
TORSDOF 3