REMARK  Name = BDB003911
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -4.909   2.145   1.248  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1       -4.245   1.177   0.879  0.00  0.00    +0.219 C 
ATOM      3  N   LIG    1       -2.999   0.975   1.404  0.00  0.00    -0.256 N 
ATOM      4  H   LIG    1       -2.901   1.777   2.023  0.00  0.00    +0.157 HD
ATOM      5  C   LIG    1       -1.953   1.073   0.530  0.00  0.00    +0.227 C 
ATOM      6  O   LIG    1       -1.349   2.138   0.423  0.00  0.00    -0.275 OA
ATOM      7  C   LIG    1       -1.512  -0.215  -0.177  0.00  0.00    +0.064 C 
ATOM      8  C   LIG    1       -0.549  -0.982   0.743  0.00  0.00    +0.124 C 
ATOM      9  N   LIG    1        0.782  -0.505   0.411  0.00  0.00    -0.297 N 
ATOM     10  C   LIG    1        1.883  -0.970   1.106  0.00  0.00    +0.247 C 
ATOM     11  O   LIG    1        1.804  -1.829   1.980  0.00  0.00    -0.270 OA
ATOM     12  C   LIG    1        0.775   0.328  -0.781  0.00  0.00    +0.109 C 
ATOM     13  C   LIG    1       -0.609   0.117  -1.386  0.00  0.00    +0.036 C 
ATOM     14  C   LIG    1       -2.693  -1.114  -0.582  0.00  0.00    +0.018 C 
ATOM     15  C   LIG    1       -3.874  -0.343  -1.162  0.00  0.00    +0.010 C 
ATOM     16  C   LIG    1       -4.814   0.146  -0.069  0.00  0.00    +0.096 C 
ENDROOT
BRANCH  10  17
ATOM     17  C   LIG    1        3.217  -0.426   0.767  0.00  0.00    +0.037 A 
ATOM     18  C   LIG    1        4.245  -1.320   0.450  0.00  0.00    +0.013 A 
ATOM     19  C   LIG    1        5.516  -0.833   0.143  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1        5.761   0.541   0.167  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        4.741   1.431   0.508  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1        3.468   0.949   0.816  0.00  0.00    +0.013 A 
ENDBRANCH  10  17
TORSDOF 1