REMARK  Name = BDB027911
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.210  -2.329   1.432  0.00  0.00    +0.130 C 
ATOM      2  N   LIG    1        0.131  -0.903   1.117  0.00  0.00    -0.321 N 
ENDROOT
BRANCH   2   3
ATOM      3  C   LIG    1       -1.209  -0.432   0.662  0.00  0.00    +0.160 C 
ATOM      4  C   LIG    1       -1.612   0.930   1.259  0.00  0.00    +0.240 C 
ATOM      5  O   LIG    1       -1.398   1.266   2.423  0.00  0.00    -0.273 OA
ATOM      6  N   LIG    1       -2.340   1.763   0.438  0.00  0.00    -0.255 N 
ATOM      7  H   LIG    1       -2.626   2.637   0.858  0.00  0.00    +0.158 HD
ATOM      8  C   LIG    1       -3.015   1.411  -0.702  0.00  0.00    +0.219 C 
ATOM      9  O   LIG    1       -3.874   2.145  -1.182  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1       -2.721   0.043  -1.266  0.00  0.00    +0.098 C 
ATOM     11  C   LIG    1       -1.332  -0.425  -0.866  0.00  0.00    +0.041 C 
ENDBRANCH   2   3
BRANCH   2  12
ATOM     12  C   LIG    1        1.261  -0.317   0.539  0.00  0.00    +0.030 A 
ATOM     13  C   LIG    1        2.119  -1.017  -0.326  0.00  0.00    +0.024 A 
ATOM     14  C   LIG    1        3.234  -0.401  -0.907  0.00  0.00    +0.017 A 
ATOM     15  C   LIG    1        3.513   0.931  -0.623  0.00  0.00    +0.018 A 
ATOM     16 BR   LIG    1        5.016   1.767  -1.404  0.00  0.00    -0.050 Br
ATOM     17  C   LIG    1        2.691   1.647   0.239  0.00  0.00    +0.017 A 
ATOM     18  C   LIG    1        1.578   1.022   0.813  0.00  0.00    +0.024 A 
ENDBRANCH   2  12
TORSDOF 2