REMARK  Name = BDB041970
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.540  -0.988  -0.012  0.00  0.00    +0.153 C 
ATOM      2  C   LIG    1        0.266  -0.331  -1.129  0.00  0.00    +0.184 C 
ATOM      3  O   LIG    1       -0.096  -0.149  -2.280  0.00  0.00    -0.290 OA
ATOM      4  C   LIG    1        1.571   0.049  -0.607  0.00  0.00    +0.023 A 
ATOM      5  C   LIG    1        1.619  -0.260   0.749  0.00  0.00    -0.035 A 
ATOM      6  C   LIG    1        2.768   0.009   1.475  0.00  0.00    +0.004 A 
ATOM      7  C   LIG    1        3.857   0.587   0.813  0.00  0.00    +0.000 A 
ATOM      8  C   LIG    1        3.790   0.893  -0.558  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1        2.631   0.624  -1.286  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1        0.341  -0.860   1.253  0.00  0.00    +0.066 C 
ENDROOT
BRANCH   1  17
ATOM     11  O   LIG    1       -5.104   0.190  -1.081  0.00  0.00    -0.274 OA
ATOM     12  C   LIG    1       -3.988   0.166  -0.585  0.00  0.00    +0.238 C 
ATOM     13  N   LIG    1       -3.453   1.142   0.194  0.00  0.00    -0.239 N 
ATOM     14  H   LIG    1       -3.891   2.029   0.374  0.00  0.00    +0.159 HD
ATOM     15  C   LIG    1       -2.163   0.861   0.503  0.00  0.00    +0.310 C 
ATOM     16  O   LIG    1       -1.391   1.633   1.045  0.00  0.00    -0.252 OA
ATOM     17  N   LIG    1       -1.881  -0.424   0.069  0.00  0.00    -0.266 N 
ATOM     18  C   LIG    1       -2.959  -0.936  -0.754  0.00  0.00    +0.206 C 
ENDBRANCH   1  17
TORSDOF 1