REMARK  Name = BDB037035
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.014  -0.444   0.030  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1        0.826  -1.225  -0.778  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1        0.513  -2.192  -1.445  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        2.178  -0.664  -0.688  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1        2.125   0.476   0.113  0.00  0.00    -0.004 A 
ATOM      6  C   LIG    1        3.281   1.195   0.351  0.00  0.00    +0.023 A 
ATOM      7  C   LIG    1        4.481   0.754  -0.220  0.00  0.00    +0.015 A 
ATOM      8  C   LIG    1        4.512  -0.399  -1.027  0.00  0.00    +0.002 A 
ATOM      9 BR   LIG    1        3.268   2.748   1.423  0.00  0.00    -0.050 Br
ATOM     10  C   LIG    1        3.345  -1.124  -1.270  0.00  0.00    +0.013 A 
ATOM     11  C   LIG    1        0.724   0.712   0.565  0.00  0.00    +0.145 C 
ENDROOT
BRANCH   1  18
ATOM     12  O   LIG    1       -5.302   0.846   0.356  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1       -4.186   0.355   0.221  0.00  0.00    +0.219 C 
ATOM     14  N   LIG    1       -3.428   0.612  -0.893  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -3.828   1.291  -1.527  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -2.063   0.468  -0.989  0.00  0.00    +0.240 C 
ATOM     17  O   LIG    1       -1.426   1.129  -1.806  0.00  0.00    -0.273 OA
ATOM     18  C   LIG    1       -1.440  -0.545  -0.013  0.00  0.00    +0.163 C 
ATOM     19  C   LIG    1       -2.079  -0.367   1.361  0.00  0.00    +0.041 C 
ATOM     20  C   LIG    1       -3.582  -0.573   1.250  0.00  0.00    +0.098 C 
ENDBRANCH   1  18
TORSDOF 1