REMARK  Name = BDB027916
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -5.017   0.619   0.446  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1       -3.795   0.513   0.461  0.00  0.00    +0.219 C 
ATOM      3  N   LIG    1       -3.090   0.618   1.632  0.00  0.00    -0.255 N 
ATOM      4  H   LIG    1       -3.647   0.702   2.472  0.00  0.00    +0.158 HD
ATOM      5  C   LIG    1       -1.756   0.347   1.823  0.00  0.00    +0.239 C 
ATOM      6  O   LIG    1       -1.291   0.242   2.958  0.00  0.00    -0.273 OA
ATOM      7  C   LIG    1       -0.895   0.208   0.553  0.00  0.00    +0.158 C 
ATOM      8  C   LIG    1       -1.726  -0.490  -0.521  0.00  0.00    +0.041 C 
ATOM      9  C   LIG    1       -2.985   0.315  -0.798  0.00  0.00    +0.098 C 
ENDROOT
BRANCH   7  10
ATOM     10  N   LIG    1        0.295  -0.597   0.864  0.00  0.00    -0.333 N 
ATOM     11  H   LIG    1        0.401  -0.711   1.878  0.00  0.00    +0.147 HD
BRANCH  10  12
ATOM     12  C   LIG    1        1.525  -0.339   0.255  0.00  0.00    +0.028 A 
ATOM     13  C   LIG    1        1.667   0.310  -0.977  0.00  0.00    +0.024 A 
ATOM     14  C   LIG    1        2.925   0.471  -1.572  0.00  0.00    +0.022 A 
ATOM     15  C   LIG    1        4.057  -0.045  -0.951  0.00  0.00    +0.041 A 
ATOM     16 CL   LIG    1        5.601   0.149  -1.682  0.00  0.00    -0.084 Cl
ATOM     17  C   LIG    1        3.940  -0.729   0.253  0.00  0.00    +0.022 A 
ATOM     18  C   LIG    1        2.679  -0.884   0.839  0.00  0.00    +0.024 A 
ENDBRANCH  10  12
ENDBRANCH   7  10
TORSDOF 2