REMARK  Name = BDB051911
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        2.571  -0.994  -3.078  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1        1.991  -1.164  -2.012  0.00  0.00    +0.267 C 
ATOM      3  C   LIG    1        2.256  -0.208  -0.901  0.00  0.00    +0.043 A 
ATOM      4  C   LIG    1        1.516  -0.287   0.284  0.00  0.00    -0.023 A 
ATOM      5  C   LIG    1        1.795   0.613   1.327  0.00  0.00    +0.005 A 
ATOM      6  C   LIG    1        2.789   1.581   1.178  0.00  0.00    +0.000 A 
ATOM      7  C   LIG    1        3.515   1.661  -0.008  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1        0.433  -1.327   0.423  0.00  0.00    +0.088 C 
ATOM      9  C   LIG    1        0.431  -2.304  -0.730  0.00  0.00    +0.086 C 
ATOM     10  C   LIG    1        3.251   0.769  -1.047  0.00  0.00    +0.013 A 
ATOM     11  N   LIG    1        1.128  -2.216  -1.815  0.00  0.00    -0.188 NA
ENDROOT
BRANCH   8  12
ATOM     12  C   LIG    1       -0.958  -0.731   0.606  0.00  0.00    -0.033 A 
ATOM     13  C   LIG    1       -1.525   0.114  -0.366  0.00  0.00    +0.037 A 
ATOM     14  C   LIG    1       -2.807   0.650  -0.169  0.00  0.00    +0.126 A 
ATOM     15  C   LIG    1       -3.536   0.349   0.988  0.00  0.00    +0.033 A 
ATOM     16  C   LIG    1       -2.978  -0.492   1.950  0.00  0.00    +0.003 A 
ATOM     17  C   LIG    1       -1.701  -1.026   1.762  0.00  0.00    +0.005 A 
BRANCH  14  18
ATOM     18  N   LIG    1       -3.390   1.540  -1.182  0.00  0.00    +0.056 N 
ATOM     19  O   LIG    1       -2.699   1.816  -2.172  0.00  0.00    -0.126 OA
ATOM     20  O   LIG    1       -4.538   1.963  -0.985  0.00  0.00    -0.126 OA
ENDBRANCH  14  18
ENDBRANCH   8  12
TORSDOF 2