REMARK  Name = BDB047872
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.263   0.112  -2.329  0.00  0.00    +0.146 A 
ATOM      2  C   LIG    1       -1.207   0.740  -1.636  0.00  0.00    +0.120 A 
ATOM      3  C   LIG    1       -0.904   2.070  -1.946  0.00  0.00    +0.068 A 
ATOM      4  C   LIG    1        0.205   2.707  -1.219  0.00  0.00    +0.260 A 
ATOM      5  N   LIG    1        0.821   1.933  -0.271  0.00  0.00    -0.306 N 
ATOM      6  H   LIG    1        1.611   2.366   0.180  0.00  0.00    +0.170 HD
ATOM      7  C   LIG    1        0.472   0.627  -0.016  0.00  0.00    +0.142 A 
ATOM      8  O   LIG    1        0.564   3.856  -1.450  0.00  0.00    -0.267 OA
ATOM      9  C   LIG    1       -1.616   2.781  -2.917  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1       -2.656   2.153  -3.594  0.00  0.00    +0.004 A 
ATOM     11  N   LIG    1       -0.482   0.029  -0.654  0.00  0.00    -0.225 NA
ATOM     12  C   LIG    1       -2.978   0.824  -3.302  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   7  13
ATOM     13  C   LIG    1        1.256  -0.092   1.024  0.00  0.00    +0.017 A 
ATOM     14  C   LIG    1        1.364  -1.485   0.937  0.00  0.00    +0.012 A 
ATOM     15  C   LIG    1        2.096  -2.198   1.890  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1        2.713  -1.530   2.954  0.00  0.00    -0.050 A 
ATOM     17  C   LIG    1        3.524  -2.293   3.960  0.00  0.00    +0.044 C 
ATOM     18  C   LIG    1        2.602  -0.138   3.041  0.00  0.00    +0.004 A 
ATOM     19  C   LIG    1        1.871   0.579   2.088  0.00  0.00    +0.012 A 
ENDBRANCH   7  13
BRANCH   1  21
ATOM     20  C   LIG    1       -3.592  -1.853  -2.634  0.00  0.00    +0.277 C 
ATOM     21  O   LIG    1       -2.514  -1.195  -1.987  0.00  0.00    -0.493 OA
ENDBRANCH   1  21
TORSDOF 2