REMARK  Name = BDB047898
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.130  -0.694   1.136  0.00  0.00    +0.146 A 
ATOM      2  C   LIG    1       -1.190   0.188   0.566  0.00  0.00    +0.120 A 
ATOM      3  C   LIG    1       -1.559   1.529   0.407  0.00  0.00    +0.065 A 
ATOM      4  C   LIG    1       -0.580   2.335  -0.174  0.00  0.00    +0.224 A 
ATOM      5  N   LIG    1        0.638   1.926  -0.538  0.00  0.00    -0.193 NA
ATOM      6  C   LIG    1        0.903   0.629  -0.337  0.00  0.00    +0.164 A 
ATOM      7  C   LIG    1       -2.831   1.981   0.834  0.00  0.00    +0.015 A 
ATOM      8  C   LIG    1       -3.742   1.095   1.396  0.00  0.00    +0.004 A 
ATOM      9  N   LIG    1        0.027  -0.247   0.188  0.00  0.00    -0.223 NA
ATOM     10  C   LIG    1       -3.394  -0.243   1.542  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1        2.235   0.123  -0.727  0.00  0.00    +0.019 A 
ATOM     12  C   LIG    1        2.583  -1.233  -0.566  0.00  0.00    +0.011 A 
ATOM     13  C   LIG    1        3.843  -1.715  -0.934  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1        4.790  -0.849  -1.473  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1        4.477   0.496  -1.643  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1        3.215   0.974  -1.274  0.00  0.00    +0.011 A 
ENDBRANCH   6  11
BRANCH   1  18
ATOM     17  C   LIG    1       -2.596  -2.931   1.870  0.00  0.00    +0.277 C 
ATOM     18  O   LIG    1       -1.714  -2.003   1.255  0.00  0.00    -0.493 OA
ENDBRANCH   1  18
BRANCH   4  19
ATOM     19  O   LIG    1       -0.804   3.658  -0.439  0.00  0.00    -0.492 OA
ATOM     20  H   LIG    1       -1.713   3.728  -0.767  0.00  0.00    +0.294 HD
ENDBRANCH   4  19
TORSDOF 3