REMARK  Name = BDB064822
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -4.728   1.990  -0.636  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1       -3.768   1.279  -0.355  0.00  0.00    +0.219 C 
ATOM      3  N   LIG    1       -3.613   0.044  -0.931  0.00  0.00    -0.253 N 
ATOM      4  H   LIG    1       -4.396  -0.254  -1.499  0.00  0.00    +0.158 HD
ATOM      5  C   LIG    1       -2.819  -0.982  -0.468  0.00  0.00    +0.266 C 
ATOM      6  O   LIG    1       -3.066  -2.140  -0.796  0.00  0.00    -0.271 OA
ATOM      7  C   LIG    1       -1.639  -0.565   0.413  0.00  0.00    +0.220 C 
ATOM      8  O   LIG    1       -1.205  -1.674   1.212  0.00  0.00    -0.377 OA
ATOM      9  N   LIG    1        0.207  -1.622   1.320  0.00  0.00    -0.088 NA
ATOM     10  C   LIG    1        0.621  -0.806   0.408  0.00  0.00    +0.093 C 
ATOM     11  C   LIG    1       -0.441  -0.229  -0.459  0.00  0.00    +0.119 C 
ATOM     12  C   LIG    1       -2.091   0.552   1.356  0.00  0.00    +0.070 C 
ATOM     13  C   LIG    1       -2.685   1.726   0.596  0.00  0.00    +0.100 C 
ENDROOT
BRANCH  10  14
ATOM     14  C   LIG    1        2.043  -0.539   0.160  0.00  0.00    +0.013 A 
ATOM     15  C   LIG    1        2.629   0.720   0.322  0.00  0.00    +0.027 A 
ATOM     16 BR   LIG    1        1.682   2.226   0.982  0.00  0.00    -0.050 Br
ATOM     17  C   LIG    1        3.989   0.888   0.040  0.00  0.00    +0.016 A 
ATOM     18  C   LIG    1        4.758  -0.196  -0.389  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1        4.177  -1.454  -0.529  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1        2.821  -1.629  -0.251  0.00  0.00    +0.011 A 
ENDBRANCH  10  14
TORSDOF 1