REMARK  Name = BDB036817
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.175  -2.029  -0.162  0.00  0.00    +0.133 C 
ATOM      2  N   LIG    1        0.245  -0.656   0.100  0.00  0.00    -0.289 N 
ATOM      3  C   LIG    1       -0.532   0.454  -0.239  0.00  0.00    +0.247 C 
ATOM      4  O   LIG    1       -0.062   1.573  -0.433  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        1.688  -0.453   0.310  0.00  0.00    +0.163 C 
ATOM      6  C   LIG    1        2.415  -0.082  -0.996  0.00  0.00    +0.240 C 
ATOM      7  O   LIG    1        2.084  -0.509  -2.102  0.00  0.00    -0.273 OA
ATOM      8  N   LIG    1        3.559   0.669  -0.857  0.00  0.00    -0.255 N 
ATOM      9  H   LIG    1        4.044   0.894  -1.715  0.00  0.00    +0.158 HD
ATOM     10  C   LIG    1        4.197   1.025   0.304  0.00  0.00    +0.219 C 
ATOM     11  O   LIG    1        5.301   1.563   0.281  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1        3.524   0.631   1.598  0.00  0.00    +0.098 C 
ATOM     13  C   LIG    1        2.016   0.535   1.433  0.00  0.00    +0.041 C 
ENDBRANCH   2   5
BRANCH   3  14
ATOM     14  C   LIG    1       -2.000   0.303  -0.354  0.00  0.00    +0.037 A 
ATOM     15  C   LIG    1       -2.746  -0.230   0.704  0.00  0.00    +0.014 A 
ATOM     16  C   LIG    1       -4.134  -0.334   0.587  0.00  0.00    +0.016 A 
ATOM     17  C   LIG    1       -4.766   0.110  -0.576  0.00  0.00    +0.018 A 
ATOM     18 BR   LIG    1       -6.645  -0.031  -0.731  0.00  0.00    -0.050 Br
ATOM     19  C   LIG    1       -4.026   0.663  -1.622  0.00  0.00    +0.016 A 
ATOM     20  C   LIG    1       -2.639   0.768  -1.508  0.00  0.00    +0.014 A 
ENDBRANCH   3  14
TORSDOF 2