REMARK  Name = BDB036970
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.104   0.016  -0.001  0.00  0.00    +0.075 A 
ATOM      2  C   LIG    1        0.874   0.385   0.397  0.00  0.00    +0.105 A 
ATOM      3  N   LIG    1       -0.264  -0.309  -0.001  0.00  0.00    -0.303 N 
ATOM      4  C   LIG    1       -0.191  -1.426  -0.836  0.00  0.00    +0.252 A 
ATOM      5  O   LIG    1       -1.159  -2.075  -1.221  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1        1.173  -1.828  -1.270  0.00  0.00    +0.071 A 
ATOM      7  C   LIG    1        2.247  -1.136  -0.867  0.00  0.00    +0.022 A 
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1       -1.585   0.135   0.472  0.00  0.00    +0.176 C 
ATOM      9  C   LIG    1       -2.242  -0.938   1.355  0.00  0.00    +0.242 C 
ATOM     10  O   LIG    1       -1.611  -1.689   2.097  0.00  0.00    -0.273 OA
ATOM     11  N   LIG    1       -3.619  -0.945   1.371  0.00  0.00    -0.255 N 
ATOM     12  H   LIG    1       -4.047  -1.641   1.967  0.00  0.00    +0.158 HD
ATOM     13  C   LIG    1       -4.476  -0.058   0.770  0.00  0.00    +0.219 C 
ATOM     14  O   LIG    1       -5.685  -0.108   0.974  0.00  0.00    -0.275 OA
ATOM     15  C   LIG    1       -3.846   1.029  -0.070  0.00  0.00    +0.099 C 
ATOM     16  C   LIG    1       -2.518   0.578  -0.657  0.00  0.00    +0.044 C 
ENDBRANCH   3   8
BRANCH   1  17
ATOM     17  C   LIG    1        3.255   0.832   0.485  0.00  0.00    +0.340 C 
ATOM     18  O   LIG    1        3.140   1.844   1.161  0.00  0.00    -0.245 OA
BRANCH  17  20
ATOM     19  C   LIG    1        5.585   1.015   0.500  0.00  0.00    +0.280 C 
ATOM     20  O   LIG    1        4.431   0.294   0.069  0.00  0.00    -0.464 OA
ENDBRANCH  17  20
ENDBRANCH   1  17
TORSDOF 3