REMARK  Name = BDB036860
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.356  -1.166  -1.489  0.00  0.00    +0.133 C 
ATOM      2  N   LIG    1        0.175  -0.501  -0.305  0.00  0.00    -0.289 N 
ATOM      3  C   LIG    1       -0.558   0.393   0.478  0.00  0.00    +0.248 C 
ATOM      4  O   LIG    1       -0.052   1.151   1.302  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        1.635  -0.536  -0.137  0.00  0.00    +0.163 C 
ATOM      6  C   LIG    1        2.290   0.777  -0.600  0.00  0.00    +0.240 C 
ATOM      7  O   LIG    1        1.855   1.462  -1.526  0.00  0.00    -0.273 OA
ATOM      8  N   LIG    1        3.485   1.099   0.001  0.00  0.00    -0.255 N 
ATOM      9  H   LIG    1        3.922   1.952  -0.318  0.00  0.00    +0.158 HD
ATOM     10  C   LIG    1        4.214   0.345   0.885  0.00  0.00    +0.219 C 
ATOM     11  O   LIG    1        5.339   0.691   1.234  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1        3.607  -0.968   1.322  0.00  0.00    +0.098 C 
ATOM     13  C   LIG    1        2.088  -0.921   1.274  0.00  0.00    +0.041 C 
ENDBRANCH   2   5
BRANCH   3  14
ATOM     14  C   LIG    1       -2.015   0.477   0.296  0.00  0.00    +0.055 A 
ATOM     15  C   LIG    1       -2.879  -0.500   0.798  0.00  0.00    +0.053 A 
ATOM     16 CL   LIG    1       -2.309  -1.892   1.645  0.00  0.00    -0.083 Cl
ATOM     17  C   LIG    1       -4.257  -0.357   0.614  0.00  0.00    +0.021 A 
ATOM     18  C   LIG    1       -4.764   0.760  -0.057  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1       -3.898   1.741  -0.541  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1       -2.522   1.606  -0.361  0.00  0.00    +0.014 A 
ENDBRANCH   3  14
TORSDOF 2