REMARK  Name = BDB027912
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.079   0.116  -2.193  0.00  0.00    +0.130 C 
ATOM      2  N   LIG    1        0.259  -0.042  -0.750  0.00  0.00    -0.321 N 
ENDROOT
BRANCH   2   3
ATOM      3  C   LIG    1       -0.931   0.088   0.127  0.00  0.00    +0.160 C 
ATOM      4  C   LIG    1       -1.941   1.154  -0.353  0.00  0.00    +0.240 C 
ATOM      5  O   LIG    1       -1.637   2.191  -0.941  0.00  0.00    -0.273 OA
ATOM      6  N   LIG    1       -3.262   0.922  -0.035  0.00  0.00    -0.255 N 
ATOM      7  H   LIG    1       -3.916   1.635  -0.331  0.00  0.00    +0.158 HD
ATOM      8  C   LIG    1       -3.796  -0.131   0.661  0.00  0.00    +0.219 C 
ATOM      9  O   LIG    1       -4.994  -0.176   0.923  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1       -2.826  -1.181   1.143  0.00  0.00    +0.098 C 
ATOM     11  C   LIG    1       -1.621  -1.276   0.224  0.00  0.00    +0.041 C 
ENDBRANCH   2   3
BRANCH   2  12
ATOM     12  C   LIG    1        1.534   0.094  -0.200  0.00  0.00    +0.033 A 
ATOM     13  C   LIG    1        2.598   0.680  -0.904  0.00  0.00    +0.061 A 
ATOM     14  C   LIG    1        3.868   0.795  -0.339  0.00  0.00    +0.125 A 
ATOM     15  F   LIG    1        4.851   1.371  -1.045  0.00  0.00    -0.205 F 
ATOM     16  C   LIG    1        4.133   0.326   0.937  0.00  0.00    +0.038 A 
ATOM     17  C   LIG    1        3.109  -0.273   1.657  0.00  0.00    +0.005 A 
ATOM     18  C   LIG    1        1.831  -0.388   1.091  0.00  0.00    +0.023 A 
ENDBRANCH   2  12
TORSDOF 2