REMARK  Name = BDB027922
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.004  -0.432  -0.590  0.00  0.00    -0.332 N 
ATOM      2  H   LIG    1       -0.303   0.315  -1.215  0.00  0.00    +0.147 HD
ENDROOT
BRANCH   1   9
ATOM      3  O   LIG    1       -4.096   1.899   0.068  0.00  0.00    -0.275 OA
ATOM      4  C   LIG    1       -3.144   1.125   0.095  0.00  0.00    +0.219 C 
ATOM      5  N   LIG    1       -2.155   1.258   1.034  0.00  0.00    -0.255 N 
ATOM      6  H   LIG    1       -2.326   1.976   1.726  0.00  0.00    +0.158 HD
ATOM      7  C   LIG    1       -1.269   0.282   1.423  0.00  0.00    +0.239 C 
ATOM      8  O   LIG    1       -0.731   0.332   2.527  0.00  0.00    -0.273 OA
ATOM      9  C   LIG    1       -0.998  -0.836   0.410  0.00  0.00    +0.158 C 
ATOM     10  C   LIG    1       -2.308  -1.207  -0.289  0.00  0.00    +0.041 C 
ATOM     11  C   LIG    1       -2.986   0.007  -0.907  0.00  0.00    +0.098 C 
ENDBRANCH   1   9
BRANCH   1  12
ATOM     12  C   LIG    1        1.342  -0.204  -0.222  0.00  0.00    +0.046 A 
ATOM     13  C   LIG    1        2.155   0.641  -1.017  0.00  0.00    +0.064 A 
ATOM     14 CL   LIG    1        1.473   1.488  -2.368  0.00  0.00    -0.082 Cl
ATOM     15  C   LIG    1        3.506   0.844  -0.734  0.00  0.00    +0.060 A 
ATOM     16  C   LIG    1        4.071   0.183   0.344  0.00  0.00    +0.125 A 
ATOM     17  F   LIG    1        5.367   0.368   0.626  0.00  0.00    -0.205 F 
ATOM     18  C   LIG    1        3.316  -0.674   1.132  0.00  0.00    +0.040 A 
ATOM     19  C   LIG    1        1.961  -0.875   0.842  0.00  0.00    +0.027 A 
ENDBRANCH   1  12
TORSDOF 2